A0A087XIB8_POEFO Loading...

Glycerol-3-phosphate acyltransferase 1, mitochondrial

Mitochondrial membrane protein that catalyzes the essential first step of biosynthesis of glycerolipids such as triglycerides, phosphatidic acids and lysophosphatidic acids. Esterifies acyl-group from acyl-coenzyme A (acyl-CoA) to the sn-1 position of glycerol-3-phosphate, to produce lysophosphatidic acid. Has a narrow hydrophobic binding cleft that selects for a linear acyl chain. Catalytic activity is higher for substrates with a 16-carbon acyl chain.

AlphaFold DB , UniProt , Accession A0A087XIB8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 818 aa.

						>A0A087XIB8_POEFO|A0A087XIB8
MELPDGSLLPVSNGEQWCNSWKHPNEDPDRSTSPSVLRSCAMTWKEGLLNRKRPFVGRCCHSCTPQSWEQLFNPSIPSLGLRNVIYINETNTRQRGWLARRLSYVLFVTERDVHKDMFTRNVVDNVLNSSRVESTISKVAAESEAPVSQPVSKVKQKARAVLQEMVANVSPPFIRLTGWVLLRLFNGFFWSIQIHKGQLEMVKKAAAERKLPMIFLPVHKSHIDYLLITLILFCHNIKAPHIAAGNNLSIPILSTVIRKLGGFFIRRRMEETADGKKDILYRSLLHTYTEELLRQQQFLEVFLEGTRSRSGKPFPPRAGMLSIVVDTLLTGAIGDVLVVPVGISYDRIIEGNYNSEQLGKPKQNESWWGIACGVFRMLRKNYGCVRVDFNQPFSLKEYLDTQRSRHVPPPVSLENALMPYIISAQADGQFDEQEEEAMDREVPDELFRRHVINSLAKHVLFTANKSSAIMSTHIVACLLLYRHRQGVVLTKLVEDFFNMKEEILSRDFDLGFSGDSEDVVMRALHLLEKCINVTGSANRNGEFTIAACQTVPALFELNFYSNGLFHVYIPDAIIACSILSLQRDLITESPHQPRDCSSLLLSQERLIHKAAGLSHFLTNEVAVAPPCQTIYQVLNDAVTRLIQCGVLYVAEEDQEEMNSSPTEEPWPKKFSEPLSWRSDEEDEDSDFGEEQRDRYVKVSLAAEHQEFFIFLQRLLSPVLEAYSGAAVFVHGLSQPMPESDFTLRLFKYLLTRTERGVAAYGESATHYLVKNTVKTFKELGVLKERRENRVSVLELSSTFQPQANRNKLLQYILSFTLL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	28.6	Very low	242 Å²	242	144.7 Å²	144.7	100%	1.192	83%	0.826	S	S	*	*				0	104.9	0	-111.3	164.1	-179.8	0	0	106.7
2	E	29.1	Very low	28.1	Very low	195 Å²	195	141.9 Å²	141.9	91%	0.911	82%	0.822	S	S	*	*			trans	55.7	94.8	157.8	-59.9	-178.5	173.7	0	0	120.2
3	L	30.5	Very low	27.8	Very low	167 Å²	167	143.8 Å²	143.8	87%	0.874	83%	0.827	S	S	*	*			trans	-74.6	166.6	133.7	-80.6	163.4	0	0	0	108.4
4	P	44	Very low	27.4	Very low	105 Å²	105	139.1 Å²	139.1	68%	0.682	83%	0.825	S	S	*	*			cis	-145.8	-171	38.9	39.6	-15.1	0	0	0	113
5	D	26.8	Very low	27.1	Very low	157 Å²	157	142.2 Å²	142.2	84%	0.84	83%	0.828	S	S	*	*			cis	-160.2	153.8	36.4	-104	-39.9	0	0	0	110.5
6	G	24.7	Very low	26.9	Very low	65 Å²	65	144.3 Å²	144.3	67%	0.67	83%	0.827	S	S	*	*			trans	-112.2	178	177.8	0	0	0	0	0	114.6
7	S	23	Very low	26.5	Very low	113 Å²	113	151 Å²	151	79%	0.79	84%	0.836	S	S	*	*			trans	167.4	108.5	149.3	38.1	0	0	0	0	108.1
8	L	23.9	Very low	26.3	Very low	153 Å²	153	148.3 Å²	148.3	80%	0.801	83%	0.829	S	S	*	*				71.7	104.7	83.1	-76.9	166.3	0	0	0	115.7
9	L	23.1	Very low	26.1	Very low	148 Å²	148	148.4 Å²	148.4	78%	0.775	83%	0.827	S	S	*	*			trans	75.8	158.8	137.1	-65	176	0	0	0	119.1
10	P	29.5	Very low	25.9	Very low	119 Å²	119	145.1 Å²	145.1	77%	0.773	82%	0.815	S	S	*	*			cis	-139.3	168.8	21.7	39.2	-18.6	0	0	0	119
11	V	28.7	Very low	25.8	Very low	128 Å²	128	150.2 Å²	150.2	78%	0.776	82%	0.821	S	S	*	*			trans	-78	138.1	157.6	169.9	0	0	0	0	109
12	S	22.9	Very low	25.4	Very low	111 Å²	111	147.1 Å²	147.1	78%	0.776	80%	0.801	S	S	*	*			trans	-148.3	123.3	157.3	61.9	0	0	0	0	111.9
13	N	23.2	Very low	25.2	Very low	166 Å²	166	147.2 Å²	147.2	89%	0.888	80%	0.801	S	S	*	*			trans	-64.3	157.4	158.7	-77.2	-23.5	0	0	0	110.7
14	G	22.6	Very low	25	Very low	78 Å²	78	144.8 Å²	144.8	80%	0.804	80%	0.796	S	S	*	*			trans	155.1	128.2	157.9	0	0	0	0	0	114.4
15	E	23.2	Very low	24	Very low	186 Å²	186	147.2 Å²	147.2	87%	0.869	80%	0.803	S	S	*	*			trans	-66.7	170.5	-176.1	-64.6	167.6	133	0	0	114.9
16	Q	23	Very low	24.2	Very low	175 Å²	175	148.7 Å²	148.7	82%	0.818	81%	0.805	S	S	*	*			trans	71.7	111.4	154.2	-106.6	170.8	1.5	0	0	116.2
17	W	21.5	Very low	24.1	Very low	259 Å²	259	153.1 Å²	153.1	98%	0.981	81%	0.813	S	S	*	*				-160	137	117.1	-99	18.2	0	0	0	112.2
18	C	21.3	Very low	24.8	Very low	103 Å²	103	152.6 Å²	152.6	70%	0.696	81%	0.807	S	S	*	*			trans	-91.1	148	-177.5	-156	0	0	0	0	108.6
19	N	22.7	Very low	25.2	Very low	150 Å²	150	152.8 Å²	152.8	80%	0.802	81%	0.809	S	S	*	*			trans	74.8	140.5	153.2	-64.6	-22.9	0	0	0	121.6
20	S	23.1	Very low	25.3	Very low	82 Å²	82	156.8 Å²	156.8	57%	0.573	81%	0.814	S	S	*	*			trans	93.6	81.1	145.6	-175.7	0	0	0	0	118.7
21	W	23.5	Very low	25.5	Very low	252 Å²	252	156.8 Å²	156.8	96%	0.955	82%	0.816	S	S	*	*			trans	-139	84	142.3	-68.3	78.9	0	0	0	107.6
22	K	22.5	Very low	25.6	Very low	178 Å²	178	155.5 Å²	155.5	77%	0.774	81%	0.809	S	S	*	*				50.2	104	105.4	-75.8	-173	177.7	-179.6	0	113.3	P24	K22-P24 WeakPolarHBondContact O-CD 3.23Å
23	H	26.4	Very low	26.2	Very low	196 Å²	196	154.6 Å²	154.6	91%	0.907	80%	0.802	S	S	*	*			trans	-46.3	134.9	157.6	-82.1	-82.7	0	0	0	111.1
24	P	24.6	Very low	26.8	Very low	117 Å²	117	149.6 Å²	149.6	76%	0.76	78%	0.779	S	S	*	*			trans	-115.8	121.9	145	22.8	-4.4	0	0	0	109.6	K22	K22-P24 WeakPolarHBondContact O-CD 3.23Å
25	N	23.1	Very low	27.8	Very low	155 Å²	155	146.3 Å²	146.3	83%	0.829	74%	0.744	S	S	*	*			trans	33	121.9	150.9	-76.1	-2.8	0	0	0	120.3	D27	N25-D27 PolarHBondContact O-N 3.49Å
26	E	30.7	Very low	29	Very low	189 Å²	189	137.7 Å²	137.7	88%	0.883	70%	0.704	S	S	*	*			trans	-35.5	118	143.9	-60	174	141.3	0	0	112.3
27	D	24	Very low	30.2	Very low	157 Å²	157	130 Å²	130	84%	0.84	67%	0.669	S	S	*	*			trans	-114.1	117.6	148.8	-91.1	-31.2	0	0	0	106.3	N25	N25-D27 PolarHBondContact O-N 3.49Å
28	P	37.2	Very low	31.3	Very low	103 Å²	103	121.9 Å²	121.9	67%	0.669	64%	0.638	S	S	*	*			trans	-79.8	156.9	167.3	33.1	-28.1	0	0	0	109.4
29	D	31.4	Very low	32.4	Very low	156 Å²	156	119.1 Å²	119.1	83%	0.834	62%	0.619	S	S	*	*			trans	79.9	77.4	167.6	-55.4	-29.1	0	0	0	118.6
30	R	26.6	Very low	33.3	Very low	233 Å²	233	113.3 Å²	113.3	88%	0.879	59%	0.59	S	S	*	*			trans	-132.6	96.6	137.9	-95	-174.3	175.5	-178.4	-0.5	111.1	T32	R30-T32 PolarHBondContact O-N 3.45Å; R30-T32 VanDerWaalsContact O-N 3.15Å
31	S	33.9	Very low	34.1	Very low	119 Å²	119	110.4 Å²	110.4	83%	0.832	57%	0.571	S	S	*	*			trans	21.9	77.2	148.8	66.2	0	0	0	0	117.2
32	T	30	Very low	34.8	Very low	101 Å²	101	102.1 Å²	102.1	62%	0.62	54%	0.544	S	S	*	.			trans	-133	98.1	156.4	42.9	0	0	0	0	108.2	R30	R30-T32 PolarHBondContact O-N 3.45Å; R30-T32 VanDerWaalsContact O-N 3.15Å
33	S	34.5	Very low	35.7	Very low	91 Å²	91	98.9 Å²	98.9	64%	0.636	54%	0.539	S	S	*	.			trans	-59.7	129.1	170.8	-172.5	0	0	0	0	108.6	S35 E703	S33-S35 PolarHBondContact O-N 2.94Å; S33-S35 VanDerWaalsContact O-N 3.13Å; S33-E703 WeakPolarHBondContact CB-OE1 3.47Å; S33-E703 PolarHBondContact OG-OE1 3.43Å
34	P	36.3	Very low	36.5	Very low	61 Å²	61	94.7 Å²	94.7	40%	0.396	52%	0.516	S	S	.	.			trans	-77.5	98.7	-175.7	30.1	-32.4	0	0	0	110.8	R38 E703	P34-R38 HydrophobicContact CB-CB 4.36Å; P34-R38 HydrophobicContact CB-CG 4.39Å; P34-E703 VanDerWaalsContact C-OE2 3.27Å; P34-E703 VanDerWaalsContact O-CD 3.28Å
35	S	43.6	Very low	37	Very low	10 Å²	10	93.2 Å²	93.2	7%	0.07	50%	0.497	C	S	.	.			trans	-38.2	150.6	176.7	71.2	0	0	0	0	114	S33 L37 R38 S39 N498 E703	S33-S35 PolarHBondContact O-N 2.94Å; S33-S35 VanDerWaalsContact O-N 3.13Å; S35-L37 PolarHBondContact O-N 2.79Å; S35-R38 CarbonylContact O-C 3.52Å; S35-R38 VanDerWaalsContact O-C 3.29Å; S35-R38 WeakPolarHBondContact O-CA 3.35Å; S35-R38 WeakPolarHBondContact O-CB 3.49Å; S35-R38 PolarHBondContact O-N 3.45Å; S35-R38 WeakPolarHBondContact OG-CB 3.42Å; S35-R38 PolarHBondContact OG-N 3.1Å; S35-S39 PolarHBondContact O-N 3.25Å; S35-N498 PolarHBondContact OG-ND2 3.19Å; S35-N498 VanDerWaalsContact OG-ND2 3.12Å; S35-E703 WeakPolarHBondContact CA-OE1 3.37Å; S35-E703 WeakPolarHBondContact CA-OE2 3.48Å; S35-E703 PolarHBondContact N-OE1 3.04Å; S35-E703 PolarHBondContact N-OE2 3.02Å
36	V	48.4	Very low	37.6	Very low	5 Å²	5	95.8 Å²	95.8	3%	0.03	50%	0.504	C	S	.	.	H	α-helix	trans	-45.5	-42.4	171.4	-177.4	0	0	0	0	112.8	R38 S39 C40 V646 E703 H704 F707	V36-R38 PolarHBondContact O-N 3.11Å; V36-S39 CarbonylContact O-C 3.46Å; V36-S39 WeakPolarHBondContact O-CA 3.26Å; V36-S39 PolarHBondContact O-N 3.47Å; V36-C40 WeakPolarHBondContact O-CB 3.3Å; V36-C40 PolarHBondContact O-N 3.2Å; V36-V646 HydrophobicContact CG1-CG2 3.97Å; V36-E703 HydrophobicContact CB-CB 4.42Å; V36-E703 HydrophobicContact CG2-CB 3.29Å; V36-E703 WeakPolarHBondContact CG2-O 3.44Å; V36-E703 PolarHBondContact N-OE2 3.16Å; V36-H704 WeakPolarHBondContact CG1-CD2 3.45Å; V36-H704 VanDerWaalsContact CG2-CA 3.45Å; V36-H704 HydrophobicContact CG2-CB 4.3Å; V36-H704 WeakPolarHBondContact CG2-CD2 3.02Å; V36-F707 HydrophobicContact CG2-CB 4.33Å
37	L	49.4	Very low	38	Very low	14 Å²	14	89.3 Å²	89.3	7%	0.073	49%	0.489	C	S	.	.	H	α-helix	trans	-64.1	-29.9	-178.9	-60.2	165.9	0	0	0	110.3	S35 A41 N498 E502 F707	S35-L37 PolarHBondContact O-N 2.79Å; L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 3.3Å; L37-N498 HydrophobicContact CB-CB 3.43Å; L37-N498 VanDerWaalsContact CB-CB 3.43Å; L37-N498 HydrophobicContact CD1-CB 3.54Å; L37-N498 HydrophobicContact CG-CB 4.03Å; L37-E502 HydrophobicContact CD2-CB 4.42Å; L37-E502 WeakPolarHBondContact CD2-OE2 3.45Å; L37-F707 HydrophobicContact CD2-CD2 4.28Å; L37-F707 HydrophobicContact CD2-CE2 4.32Å
38	R	43.8	Very low	38.7	Very low	88 Å²	88	83 Å²	83	33%	0.332	46%	0.455	S	S	.	.	H	α-helix	trans	-79.4	-34.7	166.8	-152.7	-178.5	-159.8	-167.8	4.5	113.1	P34 S35 V36 A41 M42	P34-R38 HydrophobicContact CB-CB 4.36Å; P34-R38 HydrophobicContact CB-CG 4.39Å; S35-R38 CarbonylContact O-C 3.52Å; S35-R38 VanDerWaalsContact O-C 3.29Å; S35-R38 WeakPolarHBondContact O-CA 3.35Å; S35-R38 WeakPolarHBondContact O-CB 3.49Å; S35-R38 PolarHBondContact O-N 3.45Å; S35-R38 WeakPolarHBondContact OG-CB 3.42Å; S35-R38 PolarHBondContact OG-N 3.1Å; V36-R38 PolarHBondContact O-N 3.11Å; R38-A41 CarbonylContact O-C 3.44Å; R38-A41 VanDerWaalsContact O-C 3.27Å; R38-A41 WeakPolarHBondContact O-CA 3.39Å; R38-A41 PolarHBondContact O-N 2.92Å; R38-M42 HydrophobicContact CG-CE 3.95Å; R38-M42 HydrophobicContact CG-CG 4.32Å; R38-M42 WeakPolarHBondContact O-CA 3.39Å; R38-M42 VanDerWaalsContact O-CB 3.26Å; R38-M42 WeakPolarHBondContact O-CB 3.14Å; R38-M42 WeakPolarHBondContact O-CG 3.4Å; R38-M42 PolarHBondContact O-N 3.05Å
39	S	43.7	Very low	38.9	Very low	44 Å²	44	85.9 Å²	85.9	31%	0.308	46%	0.463	S	S	.	.	H	α-helix	trans	-68.5	-48.6	178.8	-175.6	0	0	0	0	112.4	S35 V36 A41 M42 T43	S35-S39 PolarHBondContact O-N 3.25Å; V36-S39 CarbonylContact O-C 3.46Å; V36-S39 WeakPolarHBondContact O-CA 3.26Å; V36-S39 PolarHBondContact O-N 3.47Å; S39-A41 PolarHBondContact O-N 3.35Å; S39-M42 WeakPolarHBondContact O-CA 2.84Å; S39-M42 PolarHBondContact O-N 2.97Å; S39-T43 PolarHBondContact O-N 2.96Å; S39-T43 PolarHBondContact O-OG1 3.27Å
40	C	41.6	Very low	39.3	Very low	28 Å²	28	85.7 Å²	85.7	19%	0.189	46%	0.463	C	S	.	.	H	α-helix	trans	-56.6	-37.9	166.7	-67.4	0	0	0	0	111.4	V36 M42 T43 W44 C644	V36-C40 WeakPolarHBondContact O-CB 3.3Å; V36-C40 PolarHBondContact O-N 3.2Å; C40-M42 VanDerWaalsContact C-N 3.31Å; C40-T43 PolarHBondContact O-OG1 3.08Å; C40-W44 WeakPolarHBondContact O-CB 3.43Å; C40-C644 WeakPolarHBondContact SG-CA 3.14Å; C40-C644 WeakPolarHBondContact SG-CB 3.33Å; C40-C644 PolarHBondContact SG-O 2.99Å
41	A	41.8	Very low	40.5	Very low	21 Å²	21	79.8 Å²	79.8	17%	0.174	44%	0.44	C	S	.	.	H	α-helix	trans	-76.9	-14.4	174.3	0	0	0	0	0	113.3	L37 R38 S39 W44 K45 L48	L37-A41 WeakPolarHBondContact O-CB 3.15Å; L37-A41 PolarHBondContact O-N 3.3Å; R38-A41 CarbonylContact O-C 3.44Å; R38-A41 VanDerWaalsContact O-C 3.27Å; R38-A41 WeakPolarHBondContact O-CA 3.39Å; R38-A41 PolarHBondContact O-N 2.92Å; S39-A41 PolarHBondContact O-N 3.35Å; A41-W44 CarbonylContact O-C 3.58Å; A41-K45 WeakPolarHBondContact O-CA 3.25Å; A41-K45 WeakPolarHBondContact O-CB 3.42Å; A41-K45 VanDerWaalsContact O-CG 3.25Å; A41-K45 WeakPolarHBondContact O-CG 3.23Å; A41-K45 PolarHBondContact O-N 3.05Å; A41-L48 HydrophobicContact CB-CD1 4.13Å
42	M	37.4	Very low	41.9	Very low	78 Å²	78	83.1 Å²	83.1	38%	0.384	44%	0.44	S	S	.	.	H	α-helix	trans	-89.3	-43.2	-178.1	-77.3	-98.2	-167.9	0	0	111.4	R38 S39 C40 W44 K45	R38-M42 HydrophobicContact CG-CE 3.95Å; R38-M42 HydrophobicContact CG-CG 4.32Å; R38-M42 WeakPolarHBondContact O-CA 3.39Å; R38-M42 VanDerWaalsContact O-CB 3.26Å; R38-M42 WeakPolarHBondContact O-CB 3.14Å; R38-M42 WeakPolarHBondContact O-CG 3.4Å; R38-M42 PolarHBondContact O-N 3.05Å; S39-M42 WeakPolarHBondContact O-CA 2.84Å; S39-M42 PolarHBondContact O-N 2.97Å; C40-M42 VanDerWaalsContact C-N 3.31Å; M42-W44 PolarHBondContact O-N 3.19Å; M42-K45 HydrophobicContact CB-CD 4.45Å; M42-K45 HydrophobicContact CE-CD 4.18Å; M42-K45 HydrophobicContact CG-CD 3.88Å; M42-K45 WeakPolarHBondContact O-CB 3.28Å; M42-K45 PolarHBondContact O-N 3.33Å; M42-K45 VanDerWaalsContact O-N 3.11Å; M42-K45 HydrophobicContact SD-CD 3.36Å; M42-K45 WeakPolarHBondContact SD-CD 3.2Å; M42-K45 PolarHBondContact SD-NZ 3.09Å
43	T	41.8	Very low	44.1	Very low	111 Å²	111	82.8 Å²	82.8	68%	0.681	43%	0.427	S	S	*	.	H	α-helix	trans	-62.3	-20.6	167.1	36.1	0	0	0	0	112.1	S39 C40	S39-T43 PolarHBondContact O-N 2.96Å; S39-T43 PolarHBondContact O-OG1 3.27Å; C40-T43 PolarHBondContact O-OG1 3.08Å
44	W	41.9	Very low	46.5	Very low	108 Å²	108	79.5 Å²	79.5	41%	0.409	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	2.5	173.8	-77.3	22.8	0	0	0	114.6	C40 A41 M42 E46 G47 L48	C40-W44 WeakPolarHBondContact O-CB 3.43Å; A41-W44 CarbonylContact O-C 3.58Å; M42-W44 PolarHBondContact O-N 3.19Å; W44-E46 VanDerWaalsContact C-N 3.31Å; W44-E46 PolarHBondContact O-N 2.9Å; W44-G47 PolarHBondContact O-N 3.2Å; W44-G47 VanDerWaalsContact O-N 3.1Å; W44-L48 HydrophobicContact CB-CD1 3.32Å; W44-L48 HydrophobicContact CB-CG 3.82Å; W44-L48 HydrophobicContact CE3-CD1 4.16Å; W44-L48 HydrophobicContact CE3-CD2 4.07Å; W44-L48 HydrophobicContact CE3-CG 4.27Å; W44-L48 HydrophobicContact CG-CD1 4.39Å; W44-L48 WeakPolarHBondContact O-CB 3.05Å; W44-L48 WeakPolarHBondContact O-CG 3.06Å; W44-L48 PolarHBondContact O-N 3.33Å; W44-L48 VanDerWaalsContact O-N 3.1Å
45	K	35.8	Very low	49	Very low	86 Å²	86	78.4 Å²	78.4	37%	0.374	39%	0.393	S	S	.	.	H	α-helix	trans	-67.3	-29.5	-165.3	-132.4	170	174.3	-162.2	0	114.3	A41 M42 G47	A41-K45 WeakPolarHBondContact O-CA 3.25Å; A41-K45 WeakPolarHBondContact O-CB 3.42Å; A41-K45 VanDerWaalsContact O-CG 3.25Å; A41-K45 WeakPolarHBondContact O-CG 3.23Å; A41-K45 PolarHBondContact O-N 3.05Å; M42-K45 HydrophobicContact CB-CD 4.45Å; M42-K45 HydrophobicContact CE-CD 4.18Å; M42-K45 HydrophobicContact CG-CD 3.88Å; M42-K45 WeakPolarHBondContact O-CB 3.28Å; M42-K45 PolarHBondContact O-N 3.33Å; M42-K45 VanDerWaalsContact O-N 3.11Å; M42-K45 HydrophobicContact SD-CD 3.36Å; M42-K45 WeakPolarHBondContact SD-CD 3.2Å; M42-K45 PolarHBondContact SD-NZ 3.09Å; K45-G47 PolarHBondContact O-N 2.78Å
46	E	35.8	Very low	51.2	Low	208 Å²	208	78.6 Å²	78.6	97%	0.972	39%	0.393	S	S	*	.	H	α-helix	trans	-73.7	-14.5	-179.3	-65.1	-173.7	163.6	0	0	111.9	W44	W44-E46 VanDerWaalsContact C-N 3.31Å; W44-E46 PolarHBondContact O-N 2.9Å
47	G	37.9	Very low	53.1	Low	54 Å²	54	78.8 Å²	78.8	56%	0.557	40%	0.396	S	S	*	.	H	α-helix	trans	-110.3	-18.9	174.5	0	0	0	0	0	116.1	W44 K45	W44-G47 PolarHBondContact O-N 3.2Å; W44-G47 VanDerWaalsContact O-N 3.1Å; K45-G47 PolarHBondContact O-N 2.78Å
48	L	40.3	Very low	55.2	Low	25 Å²	25	80.8 Å²	80.8	13%	0.131	40%	0.403	C	S	.	.	H	α-helix	trans	-82.1	-31.6	-167.4	-84.7	170.4	0	0	0	115.7	A41 W44 N50 R51	A41-L48 HydrophobicContact CB-CD1 4.13Å; W44-L48 HydrophobicContact CB-CD1 3.32Å; W44-L48 HydrophobicContact CB-CG 3.82Å; W44-L48 HydrophobicContact CE3-CD1 4.16Å; W44-L48 HydrophobicContact CE3-CD2 4.07Å; W44-L48 HydrophobicContact CE3-CG 4.27Å; W44-L48 HydrophobicContact CG-CD1 4.39Å; W44-L48 WeakPolarHBondContact O-CB 3.05Å; W44-L48 WeakPolarHBondContact O-CG 3.06Å; W44-L48 PolarHBondContact O-N 3.33Å; W44-L48 VanDerWaalsContact O-N 3.1Å; L48-N50 PolarHBondContact O-N 2.91Å; L48-R51 HydrophobicContact CD2-CB 4.49Å; L48-R51 PolarHBondContact O-N 2.96Å; L48-R51 VanDerWaalsContact O-N 3.08Å
49	L	40.4	Very low	57.6	Low	162 Å²	162	77 Å²	77	85%	0.848	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.3	179.3	-69.4	170.4	0	0	0	113.4
50	N	39.9	Very low	59.9	Low	153 Å²	153	76.3 Å²	76.3	82%	0.818	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	5.7	177.5	-90.4	-24.4	0	0	0	114.4	L48 K52	L48-N50 PolarHBondContact O-N 2.91Å; N50-K52 PolarHBondContact O-N 2.94Å; N50-K52 VanDerWaalsContact O-N 3.16Å
51	R	52.7	Low	62.4	Low	109 Å²	109	79.5 Å²	79.5	41%	0.411	40%	0.396	S	S	.	.			trans	-72.9	115.2	-173.7	-153.7	173.2	168.6	177.2	-7.8	110.5	L48 D507	L48-R51 HydrophobicContact CD2-CB 4.49Å; L48-R51 PolarHBondContact O-N 2.96Å; L48-R51 VanDerWaalsContact O-N 3.08Å; R51-D507 IonicContact NH2-OD1 2.68Å; R51-D507 PolarHBondContact NH2-OD1 3.44Å
52	K	63	Low	64.7	Low	189 Å²	189	81.6 Å²	81.6	82%	0.822	41%	0.41	S	S	*	.			trans	-64.6	144.1	171.3	-66	176	-178.5	172.8	0	108.8	N50	N50-K52 PolarHBondContact O-N 2.94Å; N50-K52 VanDerWaalsContact O-N 3.16Å
53	R	76.9	Confident	67.3	Low	94 Å²	94	77.9 Å²	77.9	36%	0.355	39%	0.392	S	S	.	.			trans	-44.8	132.6	173.5	-73.7	174.4	172.5	-103.5	-2.2	110.7	F55 D509 L510 F512	R53-F55 PolarHBondContact O-N 3.21Å; R53-D509 IonicContact CZ-OD1 3.58Å; R53-D509 IonicContact NH1-OD1 3.77Å; R53-D509 PolarHBondContact NH1-OD1 3.45Å; R53-D509 IonicContact NH1-OD2 2.81Å; R53-L510 PolarHBondContact NH1-O 3.47Å; R53-F512 PolarHBondContact NH2-O 3.4Å
54	P	84.6	Confident	69.8	Low	21 Å²	21	72.7 Å²	72.7	14%	0.136	36%	0.36	C	S	.	.			trans	-64	138.1	178.7	26.9	-33.1	0	0	0	109.8	V56 L504 D507 F508	P54-V56 PolarHBondContact O-N 3.12Å; P54-L504 HydrophobicContact CG-CD2 4.43Å; P54-D507 HydrophobicContact CB-CB 4.42Å; P54-F508 WeakPolarHBondContact CG-O 3.43Å
55	F	87.9	Confident	72.3	Confident	39 Å²	39	69.8 Å²	69.8	17%	0.171	36%	0.355	C	S	.	.			trans	-82.3	105.8	172	-179.5	-97	0	0	0	109.5	R53 R58 F72 I76 P77 H195 Q198 M201	R53-F55 PolarHBondContact O-N 3.21Å; F55-R58 HydrophobicContact CD1-CG 4.16Å; F55-R58 HydrophobicContact CE1-CG 4.15Å; F55-F72 HydrophobicContact CD1-CD2 4.41Å; F55-F72 AromaticContact CD1-CE2 3.55Å; F55-F72 HydrophobicContact CD1-CE2 3.55Å; F55-F72 HydrophobicContact CD1-CZ 4.21Å; F55-F72 AromaticContact CE1-CD2 3.83Å; F55-F72 HydrophobicContact CE1-CD2 3.83Å; F55-F72 AromaticContact CE1-CE2 3.38Å; F55-F72 HydrophobicContact CE1-CE2 3.38Å; F55-F72 HydrophobicContact CE1-CZ 4.43Å; F55-F72 HydrophobicContact CG-CE2 4.29Å; F55-F72 HydrophobicContact CZ-CD2 4.34Å; F55-F72 AromaticContact CZ-CE2 3.99Å; F55-F72 HydrophobicContact CZ-CE2 3.99Å; F55-I76 HydrophobicContact CD2-CG2 4.45Å; F55-I76 HydrophobicContact CE2-CG2 3.64Å; F55-I76 HydrophobicContact CZ-CG2 3.75Å; F55-P77 HydrophobicContact CB-CB 3.99Å; F55-P77 HydrophobicContact CB-CG 3.75Å; F55-P77 HydrophobicContact CD2-CB 4.27Å; F55-P77 HydrophobicContact CD2-CG 4.07Å; F55-P77 HydrophobicContact CG-CB 4.35Å; F55-P77 HydrophobicContact CG-CG 3.86Å; F55-H195 AromaticContact CD2-CE1 3.8Å; F55-H195 AromaticContact CE2-CE1 3.71Å; F55-H195 AromaticContact CE2-ND1 3.77Å; F55-Q198 HydrophobicContact CE2-CG 3.83Å; F55-Q198 HydrophobicContact CZ-CG 3.94Å; F55-M201 HydrophobicContact CE1-CE 4.28Å; F55-M201 HydrophobicContact CZ-CE 3.75Å; F55-M201 HydrophobicContact CZ-SD 4.47Å
56	V	90	Very high	75	Confident	14 Å²	14	71.5 Å²	71.5	9%	0.085	36%	0.364	C	S	.	.			trans	-90.3	154.4	177.2	-61.8	0	0	0	0	111.9	P54 Q198 D507 D509	P54-V56 PolarHBondContact O-N 3.12Å; V56-Q198 PolarHBondContact O-NE2 2.96Å; V56-D507 WeakPolarHBondContact CG1-O 3.07Å; V56-D509 HydrophobicContact CG1-CB 4.19Å; V56-D509 HydrophobicContact CG2-CB 4.11Å
57	G	89	Confident	77.7	Confident	9 Å²	9	61.6 Å²	61.6	9%	0.093	32%	0.318	C	S	.	.			trans	98.4	19.4	171	0	0	0	0	0	115.8	N390 Q391	G57-N390 CarbonylContact O-C 3.4Å; G57-N390 VanDerWaalsContact O-CA 3.22Å; G57-N390 WeakPolarHBondContact O-CA 3.43Å; G57-N390 WeakPolarHBondContact O-CB 3.49Å; G57-Q391 PolarHBondContact O-N 3.08Å
58	R	92.9	Very high	80.3	Confident	55 Å²	55	63.1 Å²	63.1	21%	0.208	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-62.1	147.6	164.8	-63.9	-82.1	-81.9	148.5	-14.1	109.9	F55 W68 F72	F55-R58 HydrophobicContact CD1-CG 4.16Å; F55-R58 HydrophobicContact CE1-CG 4.15Å; R58-W68 VanDerWaalsContact CZ-CE2 3.47Å; R58-W68 PolarHBondContact NH1-O 3.21Å; R58-W68 VanDerWaalsContact NH2-CE3 3.31Å; R58-W68 VanDerWaalsContact NH2-CZ3 3.34Å; R58-W68 PolarHBondContact NH2-O 2.83Å; R58-F72 VanDerWaalsContact CZ-CD1 3.41Å; R58-F72 VanDerWaalsContact CZ-CG 3.47Å
59	C	93.6	Very high	82.7	Confident	8 Å²	8	68.4 Å²	68.4	5%	0.054	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-71.4	168.5	171.5	64.2	0	0	0	0	110.1	H61 W68 Q391 F393	C59-H61 PolarHBondContact O-N 3.46Å; C59-W68 WeakPolarHBondContact SG-CA 3.39Å; C59-Q391 HydrophobicContact CB-CB 4.27Å; C59-Q391 HydrophobicContact CB-CG 4.41Å; C59-F393 HydrophobicContact CB-CB 4.02Å; C59-F393 HydrophobicContact CB-CD1 4.19Å; C59-F393 HydrophobicContact CB-CG 4.46Å
60	C	93	Very high	84.8	Confident	30 Å²	30	65.5 Å²	65.5	20%	0.203	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-76.3	122.8	-179.2	178.3	0	0	0	0	110.1	S62 C63 T64 H458	C60-S62 VanDerWaalsContact C-N 3.35Å; C60-C63 HydrophobicContact CB-CB 4.02Å; C60-C63 PolarHBondContact O-N 3.08Å; C60-C63 VanDerWaalsContact SG-SG 3.64Å; C60-T64 PolarHBondContact O-N 3.27Å; C60-T64 PolarHBondContact O-OG1 3.34Å; C60-H458 VanDerWaalsContact CB-CE1 3.49Å; C60-H458 WeakPolarHBondContact CB-CE1 3.4Å
61	H	92.8	Very high	86.8	Confident	95 Å²	95	58.3 Å²	58.3	44%	0.44	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-45	177.3	177.5	-99.6	0	0	0	111.3	C59 C63 T64 P65 W68	C59-H61 PolarHBondContact O-N 3.46Å; H61-C63 VanDerWaalsContact C-N 3.34Å; H61-C63 PolarHBondContact O-N 3.08Å; H61-T64 PolarHBondContact O-N 2.57Å; H61-P65 WeakPolarHBondContact O-CA 3.49Å; H61-P65 WeakPolarHBondContact O-CB 3.46Å; H61-P65 WeakPolarHBondContact O-CD 3.43Å; H61-P65 VanDerWaalsContact O-N 3.14Å; H61-W68 HydrophobicContact CB-CD2 4.44Å; H61-W68 HydrophobicContact CB-CG 4.22Å; H61-W68 AromaticContact CD2-CD2 3.91Å
62	S	91.4	Very high	88.4	Confident	65 Å²	65	55.5 Å²	55.5	46%	0.455	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-35	-177.2	-41.6	0	0	0	0	112.7	C60 R405	C60-S62 VanDerWaalsContact C-N 3.35Å; S62-R405 VanDerWaalsContact CB-NH2 3.26Å; S62-R405 PolarHBondContact O-NH2 3.03Å
63	C	92.3	Very high	89.5	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.007	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-28.4	-179.4	-60.9	0	0	0	0	113.8	C60 H61 Y398 T401 H458 C627	C60-C63 HydrophobicContact CB-CB 4.02Å; C60-C63 PolarHBondContact O-N 3.08Å; C60-C63 VanDerWaalsContact SG-SG 3.64Å; H61-C63 VanDerWaalsContact C-N 3.34Å; H61-C63 PolarHBondContact O-N 3.08Å; C63-Y398 HydrophobicContact CB-CD2 3.79Å; C63-Y398 HydrophobicContact CB-CE2 3.83Å; C63-T401 PolarHBondContact O-OG1 2.97Å; C63-H458 PolarHBondContact SG-NE2 2.99Å; C63-C627 WeakPolarHBondContact SG-CB 3.29Å; C63-C627 VanDerWaalsContact SG-SG 3.62Å
64	T	94.4	Very high	89.8	Confident	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.267	C	S	.	.			trans	-146.9	65.8	-171.4	53.2	0	0	0	0	111.4	C60 H61 W68 F393 E397 Y398	C60-T64 PolarHBondContact O-N 3.27Å; C60-T64 PolarHBondContact O-OG1 3.34Å; H61-T64 PolarHBondContact O-N 2.57Å; T64-W68 WeakPolarHBondContact O-CB 3.39Å; T64-W68 PolarHBondContact O-N 2.85Å; T64-F393 HydrophobicContact CG2-CB 4.04Å; T64-F393 HydrophobicContact CG2-CD2 3.68Å; T64-F393 HydrophobicContact CG2-CE2 4.43Å; T64-F393 HydrophobicContact CG2-CG 4.1Å; T64-E397 WeakPolarHBondContact CA-OE1 3.45Å; T64-Y398 HydrophobicContact CG2-CD2 4.19Å
65	P	93.4	Very high	89.8	Confident	47 Å²	47	53.5 Å²	53.5	31%	0.305	28%	0.281	S	S	.	.	H	α-helix	trans	-64.2	-38.9	-175.1	25.7	-33.9	0	0	0	113.7	H61 W68 E69 E397	H61-P65 WeakPolarHBondContact O-CA 3.49Å; H61-P65 WeakPolarHBondContact O-CB 3.46Å; H61-P65 WeakPolarHBondContact O-CD 3.43Å; H61-P65 VanDerWaalsContact O-N 3.14Å; P65-W68 WeakPolarHBondContact O-CB 3.25Å; P65-W68 PolarHBondContact O-N 3.47Å; P65-E69 PolarHBondContact O-N 3.46Å; P65-E397 VanDerWaalsContact CD-OE1 3.29Å; P65-E397 WeakPolarHBondContact CD-OE1 3.42Å
66	Q	92.6	Very high	89.6	Confident	121 Å²	121	52.3 Å²	52.3	57%	0.565	28%	0.276	S	S	*	.	H	α-helix	trans	-69.1	-44.9	179.6	-52.2	178.4	11.5	0	0	111.3	W68 E69 Q70 E397	Q66-W68 PolarHBondContact O-N 3.12Å; Q66-E69 PolarHBondContact O-N 3.46Å; Q66-Q70 VanDerWaalsContact O-CG 3.29Å; Q66-Q70 WeakPolarHBondContact O-CG 3.42Å; Q66-Q70 PolarHBondContact O-N 3.02Å; Q66-E397 WeakPolarHBondContact CA-OE1 3.45Å; Q66-E397 VanDerWaalsContact CB-OE1 3.31Å; Q66-E397 WeakPolarHBondContact CB-OE1 3.4Å; Q66-E397 PolarHBondContact N-OE1 3.2Å
67	S	93.3	Very high	89.3	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.9	-31.9	175.8	-70.4	0	0	0	0	112.1	E69 Q391 S394 E397	S67-E69 VanDerWaalsContact C-N 3.3Å; S67-E69 PolarHBondContact O-N 3.49Å; S67-Q391 PolarHBondContact O-NE2 3.41Å; S67-S394 PolarHBondContact OG-N 3.45Å; S67-E397 VanDerWaalsContact CB-OE2 3.23Å; S67-E397 WeakPolarHBondContact CB-OE2 3.45Å; S67-E397 PolarHBondContact N-OE1 2.92Å; S67-E397 PolarHBondContact N-OE2 3.24Å; S67-E397 PolarHBondContact OG-OE2 3.21Å
68	W	92.6	Very high	89.1	Confident	87 Å²	87	58.2 Å²	58.2	33%	0.33	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-38.5	178.4	-168.5	91	0	0	0	112.2	R58 C59 H61 T64 P65 Q66 Q391	R58-W68 VanDerWaalsContact CZ-CE2 3.47Å; R58-W68 PolarHBondContact NH1-O 3.21Å; R58-W68 VanDerWaalsContact NH2-CE3 3.31Å; R58-W68 VanDerWaalsContact NH2-CZ3 3.34Å; R58-W68 PolarHBondContact NH2-O 2.83Å; C59-W68 WeakPolarHBondContact SG-CA 3.39Å; H61-W68 HydrophobicContact CB-CD2 4.44Å; H61-W68 HydrophobicContact CB-CG 4.22Å; H61-W68 AromaticContact CD2-CD2 3.91Å; T64-W68 WeakPolarHBondContact O-CB 3.39Å; T64-W68 PolarHBondContact O-N 2.85Å; P65-W68 WeakPolarHBondContact O-CB 3.25Å; P65-W68 PolarHBondContact O-N 3.47Å; Q66-W68 PolarHBondContact O-N 3.12Å; W68-Q391 PolarHBondContact O-NE2 3.44Å
69	E	90.1	Very high	88.7	Confident	136 Å²	136	58.8 Å²	58.8	64%	0.636	32%	0.322	S	S	*	.	H	α-helix	trans	-81.8	-37.4	-178.2	-65.3	180	170.4	0	0	113.8	P65 Q66 S67	P65-E69 PolarHBondContact O-N 3.46Å; Q66-E69 PolarHBondContact O-N 3.46Å; S67-E69 VanDerWaalsContact C-N 3.3Å; S67-E69 PolarHBondContact O-N 3.49Å
70	Q	85.4	Confident	88.3	Confident	100 Å²	100	59.8 Å²	59.8	47%	0.467	33%	0.334	S	S	.	.	H	α-helix	trans	-78.9	-27.1	-162.2	-70.2	171.1	5.7	0	0	116	Q66 K204	Q66-Q70 VanDerWaalsContact O-CG 3.29Å; Q66-Q70 WeakPolarHBondContact O-CG 3.42Å; Q66-Q70 PolarHBondContact O-N 3.02Å; Q70-K204 PolarHBondContact O-NZ 3.37Å
71	L	81.1	Confident	88.2	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	34%	0.341	C	S	.	.	S	Bend	trans	-108.7	-3.5	-170.5	-69.5	174	0	0	0	114.4	M201 K204 A205 Q391 P392	L71-M201 VanDerWaalsContact O-CG 3.31Å; L71-M201 WeakPolarHBondContact O-CG 3.3Å; L71-K204 HydrophobicContact CD2-CD 4.3Å; L71-K204 HydrophobicContact CD2-CG 4.42Å; L71-A205 HydrophobicContact CD1-CB 4.07Å; L71-A205 HydrophobicContact CD2-CB 4.15Å; L71-Q391 HydrophobicContact CB-CG 4.25Å; L71-P392 HydrophobicContact CD1-CB 3.98Å; L71-P392 HydrophobicContact CD1-CG 4.34Å; L71-P392 WeakPolarHBondContact CD1-O 3.31Å
72	F	87.1	Confident	88	Confident	50 Å²	50	61.5 Å²	61.5	22%	0.219	34%	0.337	C	S	.	.			trans	-113.6	143.1	-178.8	-178.4	-99.6	0	0	0	111.7	F55 R58 I76 P77 M201	F55-F72 HydrophobicContact CD1-CD2 4.41Å; F55-F72 AromaticContact CD1-CE2 3.55Å; F55-F72 HydrophobicContact CD1-CE2 3.55Å; F55-F72 HydrophobicContact CD1-CZ 4.21Å; F55-F72 AromaticContact CE1-CD2 3.83Å; F55-F72 HydrophobicContact CE1-CD2 3.83Å; F55-F72 AromaticContact CE1-CE2 3.38Å; F55-F72 HydrophobicContact CE1-CE2 3.38Å; F55-F72 HydrophobicContact CE1-CZ 4.43Å; F55-F72 HydrophobicContact CG-CE2 4.29Å; F55-F72 HydrophobicContact CZ-CD2 4.34Å; F55-F72 AromaticContact CZ-CE2 3.99Å; F55-F72 HydrophobicContact CZ-CE2 3.99Å; R58-F72 VanDerWaalsContact CZ-CD1 3.41Å; R58-F72 VanDerWaalsContact CZ-CG 3.47Å; F72-I76 HydrophobicContact CD2-CB 4.37Å; F72-I76 HydrophobicContact CD2-CD1 4.04Å; F72-I76 HydrophobicContact CD2-CG2 4.4Å; F72-I76 HydrophobicContact CE2-CB 4.13Å; F72-I76 HydrophobicContact CE2-CG2 4.21Å; F72-P77 HydrophobicContact CE2-CG 4.29Å; F72-P77 HydrophobicContact CZ-CG 4.03Å; F72-M201 HydrophobicContact CB-SD 4.38Å; F72-M201 HydrophobicContact CD2-SD 4.07Å
73	N	84.6	Confident	88.1	Confident	86 Å²	86	60.4 Å²	60.4	46%	0.46	33%	0.326	S	S	.	.			trans	-130.9	140.3	174.5	-179.9	-38.5	0	0	0	108.2	S75 I76	N73-S75 PolarHBondContact O-N 2.95Å; N73-S75 PolarHBondContact OD1-N 3.31Å; N73-S75 PolarHBondContact OD1-OG 3.22Å; N73-I76 HydrophobicContact CB-CD1 4.27Å; N73-I76 HydrophobicContact CB-CG1 4.14Å; N73-I76 VanDerWaalsContact N-CD1 3.3Å; N73-I76 VanDerWaalsContact O-CB 3.24Å; N73-I76 WeakPolarHBondContact O-CB 3.24Å; N73-I76 VanDerWaalsContact O-CG1 3.31Å; N73-I76 WeakPolarHBondContact O-CG1 3.04Å; N73-I76 PolarHBondContact O-N 3.43Å
74	P	84.3	Confident	88	Confident	114 Å²	114	60.9 Å²	60.9	74%	0.74	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-21.3	174.5	-29.2	35	0	0	0	116.1	P77	P74-P77 WeakPolarHBondContact O-CD 3.46Å
75	S	84.4	Confident	87.9	Confident	61 Å²	61	60.8 Å²	60.8	43%	0.427	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.7	175	68.6	0	0	0	0	114.1	N73 S78	N73-S75 PolarHBondContact O-N 2.95Å; N73-S75 PolarHBondContact OD1-N 3.31Å; N73-S75 PolarHBondContact OD1-OG 3.22Å; S75-S78 WeakPolarHBondContact O-CB 3.24Å; S75-S78 PolarHBondContact O-N 3.3Å; S75-S78 VanDerWaalsContact O-N 3.1Å; S75-S78 PolarHBondContact O-OG 3.3Å
76	I	84.1	Confident	87.7	Confident	14 Å²	14	65.2 Å²	65.2	7%	0.072	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-57.1	-47.6	-174.4	-70.7	-178.3	0	0	0	113.1	F55 F72 N73 S78 L79 H195 G197 M201	F55-I76 HydrophobicContact CD2-CG2 4.45Å; F55-I76 HydrophobicContact CE2-CG2 3.64Å; F55-I76 HydrophobicContact CZ-CG2 3.75Å; F72-I76 HydrophobicContact CD2-CB 4.37Å; F72-I76 HydrophobicContact CD2-CD1 4.04Å; F72-I76 HydrophobicContact CD2-CG2 4.4Å; F72-I76 HydrophobicContact CE2-CB 4.13Å; F72-I76 HydrophobicContact CE2-CG2 4.21Å; N73-I76 HydrophobicContact CB-CD1 4.27Å; N73-I76 HydrophobicContact CB-CG1 4.14Å; N73-I76 VanDerWaalsContact N-CD1 3.3Å; N73-I76 VanDerWaalsContact O-CB 3.24Å; N73-I76 WeakPolarHBondContact O-CB 3.24Å; N73-I76 VanDerWaalsContact O-CG1 3.31Å; N73-I76 WeakPolarHBondContact O-CG1 3.04Å; N73-I76 PolarHBondContact O-N 3.43Å; I76-S78 PolarHBondContact O-N 2.94Å; I76-S78 VanDerWaalsContact O-N 3.14Å; I76-L79 WeakPolarHBondContact O-CB 3.42Å; I76-L79 PolarHBondContact O-N 3.33Å; I76-L79 VanDerWaalsContact O-N 3.16Å; I76-H195 PolarHBondContact O-CE1 3.38Å; I76-G197 VanDerWaalsContact CG2-CA 3.49Å; I76-M201 HydrophobicContact CD1-CG 3.63Å; I76-M201 HydrophobicContact CD1-SD 4.09Å
77	P	83.8	Confident	87.4	Confident	50 Å²	50	60 Å²	60	33%	0.325	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-58.2	-25.4	178.2	-26.8	36.9	0	0	0	114.3	F55 F72 P74 L79	F55-P77 HydrophobicContact CB-CB 3.99Å; F55-P77 HydrophobicContact CB-CG 3.75Å; F55-P77 HydrophobicContact CD2-CB 4.27Å; F55-P77 HydrophobicContact CD2-CG 4.07Å; F55-P77 HydrophobicContact CG-CB 4.35Å; F55-P77 HydrophobicContact CG-CG 3.86Å; F72-P77 HydrophobicContact CE2-CG 4.29Å; F72-P77 HydrophobicContact CZ-CG 4.03Å; P74-P77 WeakPolarHBondContact O-CD 3.46Å; P77-L79 VanDerWaalsContact C-N 3.28Å; P77-L79 PolarHBondContact O-N 3.16Å
78	S	84.3	Confident	87	Confident	98 Å²	98	62.3 Å²	62.3	69%	0.685	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-76.8	-11.9	-178.7	73.8	0	0	0	0	114.2	S75 I76 G80	S75-S78 WeakPolarHBondContact O-CB 3.24Å; S75-S78 PolarHBondContact O-N 3.3Å; S75-S78 VanDerWaalsContact O-N 3.1Å; S75-S78 PolarHBondContact O-OG 3.3Å; I76-S78 PolarHBondContact O-N 2.94Å; I76-S78 VanDerWaalsContact O-N 3.14Å; S78-G80 VanDerWaalsContact C-N 3.25Å; S78-G80 PolarHBondContact O-N 3.34Å
79	L	84.3	Confident	86.5	Confident	66 Å²	66	60.7 Å²	60.7	35%	0.346	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-74.4	-12.3	-174.4	-67	175	0	0	0	114.2	I76 P77 K196 E200	I76-L79 WeakPolarHBondContact O-CB 3.42Å; I76-L79 PolarHBondContact O-N 3.33Å; I76-L79 VanDerWaalsContact O-N 3.16Å; P77-L79 VanDerWaalsContact C-N 3.28Å; P77-L79 PolarHBondContact O-N 3.16Å; L79-K196 HydrophobicContact CB-CB 4.02Å; L79-K196 HydrophobicContact CB-CD 4.18Å; L79-K196 HydrophobicContact CB-CG 4.17Å; L79-E200 HydrophobicContact CD1-CG 4.35Å
80	G	85.7	Confident	86.2	Confident	30 Å²	30	59.3 Å²	59.3	31%	0.309	33%	0.325	S	S	.	.			trans	67.1	-169.7	171	0	0	0	0	0	115.5	S78 K196	S78-G80 VanDerWaalsContact C-N 3.25Å; S78-G80 PolarHBondContact O-N 3.34Å; G80-K196 PolarHBondContact O-N 3.14Å
81	L	90.3	Very high	86	Confident	65 Å²	65	56.3 Å²	56.3	34%	0.34	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	145.7	-176.3	-55.5	179.1	0	0	0	111.7	I194 H195	L81-I194 CarbonylContact C-O 3.53Å; L81-I194 WeakPolarHBondContact CA-O 3.5Å; L81-H195 HydrophobicContact CD2-CB 3.96Å
82	R	89.4	Confident	86.1	Confident	96 Å²	96	56.8 Å²	56.8	36%	0.362	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.3	176.2	-173.2	177	-179.6	-179.3	-0.4	110.9	N91 Q193 I194	R82-N91 PolarHBondContact NH2-ND2 3.39Å; R82-Q193 WeakPolarHBondContact O-CA 3.39Å; R82-I194 PolarHBondContact N-O 3.25Å; R82-I194 PolarHBondContact O-N 3.46Å
83	N	92.4	Very high	86	Confident	42 Å²	42	64.9 Å²	64.9	23%	0.225	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.3	168	-171	1.9	0	0	0	110.1	I85 S191 I192	N83-I85 WeakPolarHBondContact OD1-CG1 3.38Å; N83-I85 PolarHBondContact OD1-N 3.17Å; N83-S191 WeakPolarHBondContact ND2-CB 3.46Å; N83-I192 CarbonylContact C-O 3.57Å; N83-I192 VanDerWaalsContact CA-O 3.29Å; N83-I192 WeakPolarHBondContact CA-O 3.48Å; N83-I192 PolarHBondContact OD1-N 2.88Å; N83-I192 PolarHBondContact OD1-O 3.37Å
84	V	91.1	Very high	85.9	Confident	10 Å²	10	66.1 Å²	66.1	6%	0.061	35%	0.347	C	S	.	.	S	Bend	trans	-75.3	-36.3	-176.4	179.6	0	0	0	0	112.3	Y86 I192 I194 I231 C234	V84-Y86 VanDerWaalsContact C-N 3.33Å; V84-I192 HydrophobicContact CB-CB 4.46Å; V84-I192 HydrophobicContact CB-CG2 4.34Å; V84-I192 HydrophobicContact CG2-CG2 4.39Å; V84-I192 PolarHBondContact N-O 2.69Å; V84-I194 HydrophobicContact CG2-CB 4.45Å; V84-I194 HydrophobicContact CG2-CD1 3.34Å; V84-I194 HydrophobicContact CG2-CG1 3.73Å; V84-I231 HydrophobicContact CG1-CG1 4.4Å; V84-I231 HydrophobicContact CG2-CG1 4.43Å; V84-C234 HydrophobicContact CG1-CB 4.1Å
85	I	91.5	Very high	85.9	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	-82.1	-14.4	-174.4	52.9	166.1	0	0	0	113.2	N83 I87 Y104 L182 F185 N186 F189 I192	N83-I85 WeakPolarHBondContact OD1-CG1 3.38Å; N83-I85 PolarHBondContact OD1-N 3.17Å; I85-I87 PolarHBondContact O-N 3.28Å; I85-Y104 WeakPolarHBondContact O-CE1 3.49Å; I85-Y104 PolarHBondContact O-OH 3.48Å; I85-L182 HydrophobicContact CG2-CD2 4.37Å; I85-F185 HydrophobicContact CG2-CB 3.81Å; I85-F185 HydrophobicContact CG2-CD2 4.47Å; I85-N186 HydrophobicContact CB-CB 4.45Å; I85-N186 HydrophobicContact CD1-CB 4.47Å; I85-F189 HydrophobicContact CD1-CB 4.25Å; I85-I192 HydrophobicContact CD1-CG1 4.15Å; I85-I192 HydrophobicContact CG1-CB 4.36Å; I85-I192 HydrophobicContact CG1-CG1 4.27Å; I85-I192 HydrophobicContact CG2-CB 4.26Å; I85-I192 HydrophobicContact CG2-CD1 3.48Å; I85-I192 VanDerWaalsContact CG2-CD1 3.48Å; I85-I192 HydrophobicContact CG2-CG1 3.96Å
86	Y	88.9	Confident	86	Confident	141 Å²	141	70 Å²	70	55%	0.553	35%	0.347	S	S	*	.			trans	-85.1	102.6	176.9	-175.4	-99.3	0	0	0	110.3	V84 N88	V84-Y86 VanDerWaalsContact C-N 3.33Å; Y86-N88 HydrophobicContact CE1-CB 4.34Å
87	I	87.1	Confident	86.1	Confident	10 Å²	10	77.4 Å²	77.4	5%	0.051	37%	0.374	C	S	.	.			trans	-117.8	117.6	-177	-59.2	176.1	0	0	0	109.7	I85 N91 S103 Y104 F107 L182	I85-I87 PolarHBondContact O-N 3.28Å; I87-N91 HydrophobicContact CG2-CB 4.27Å; I87-S103 PolarHBondContact O-OG 3.42Å; I87-Y104 HydrophobicContact CB-CD1 4.33Å; I87-Y104 HydrophobicContact CB-CE1 4.06Å; I87-Y104 HydrophobicContact CB-CE2 4.47Å; I87-Y104 HydrophobicContact CD1-CD1 3.79Å; I87-Y104 HydrophobicContact CD1-CE1 3.84Å; I87-Y104 HydrophobicContact CG1-CD1 4.44Å; I87-Y104 HydrophobicContact CG1-CE1 4.1Å; I87-F107 HydrophobicContact CD1-CB 4.4Å; I87-F107 HydrophobicContact CD1-CD1 3.51Å; I87-F107 HydrophobicContact CD1-CD2 4.46Å; I87-F107 HydrophobicContact CD1-CE1 3.78Å; I87-F107 HydrophobicContact CD1-CG 3.87Å; I87-F107 HydrophobicContact CD1-CZ 4.37Å; I87-F107 HydrophobicContact CG2-CB 3.79Å; I87-F107 HydrophobicContact CG2-CD2 4.04Å; I87-F107 HydrophobicContact CG2-CG 3.9Å; I87-L182 HydrophobicContact CD1-CD1 3.54Å; I87-L182 HydrophobicContact CD1-CD2 3.76Å; I87-L182 HydrophobicContact CD1-CG 4.18Å
88	N	85.1	Confident	86	Confident	49 Å²	49	80.2 Å²	80.2	26%	0.262	39%	0.386	S	S	.	.			trans	-118.7	-178.6	176.8	69.7	15.7	0	0	0	111.4	Y86 T90 N91	Y86-N88 HydrophobicContact CE1-CB 4.34Å; N88-T90 PolarHBondContact O-N 3.13Å; N88-T90 WeakPolarHBondContact OD1-CA 3.34Å; N88-T90 WeakPolarHBondContact OD1-CB 3.38Å; N88-T90 PolarHBondContact OD1-N 3.16Å; N88-T90 PolarHBondContact OD1-OG1 3.38Å; N88-N91 PolarHBondContact N-OD1 3.33Å; N88-N91 VanDerWaalsContact N-OD1 3.08Å; N88-N91 PolarHBondContact O-N 3.22Å; N88-N91 VanDerWaalsContact O-N 3.08Å; N88-N91 PolarHBondContact OD1-N 3Å; N88-N91 PolarHBondContact OD1-OD1 2.99Å; N88-N91 VanDerWaalsContact OD1-OD1 3.12Å
89	E	82.8	Confident	86	Confident	53 Å²	53	75.8 Å²	75.8	25%	0.248	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-61.5	-23.6	179.9	67.6	-178	170.9	0	0	113.9	N91 T92 R100	E89-N91 PolarHBondContact O-N 3.39Å; E89-T92 PolarHBondContact O-N 3.36Å; E89-T92 PolarHBondContact O-OG1 2.73Å; E89-R100 HydrophobicContact CB-CG 4.27Å; E89-R100 VanDerWaalsContact CD-NE 3.27Å; E89-R100 HydrophobicContact CG-CG 4.48Å; E89-R100 IonicContact OE1-CZ 3.52Å; E89-R100 IonicContact OE1-NE 3.19Å; E89-R100 PolarHBondContact OE1-NE 3.03Å; E89-R100 IonicContact OE1-NH2 2.94Å; E89-R100 PolarHBondContact OE1-NH2 3.06Å; E89-R100 VanDerWaalsContact OE2-CG 3.23Å; E89-R100 WeakPolarHBondContact OE2-CG 3.46Å; E89-R100 IonicContact OE2-CZ 3.54Å; E89-R100 IonicContact OE2-NE 2.79Å; E89-R100 PolarHBondContact OE2-NE 3.35Å; E89-R100 IonicContact OE2-NH2 3.45Å; E89-R100 PolarHBondContact OE2-NH2 2.97Å
90	T	82.9	Confident	86.1	Confident	107 Å²	107	80 Å²	80	66%	0.656	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-72.3	-16.9	178.1	75.5	0	0	0	0	112.6	N88	N88-T90 PolarHBondContact O-N 3.13Å; N88-T90 WeakPolarHBondContact OD1-CA 3.34Å; N88-T90 WeakPolarHBondContact OD1-CB 3.38Å; N88-T90 PolarHBondContact OD1-N 3.16Å; N88-T90 PolarHBondContact OD1-OG1 3.38Å
91	N	81.4	Confident	86.1	Confident	37 Å²	37	87.1 Å²	87.1	20%	0.198	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-89.4	-7.5	177.4	-53.1	131.4	0	0	0	113.1	R82 I87 N88 E89 F107	R82-N91 PolarHBondContact NH2-ND2 3.39Å; I87-N91 HydrophobicContact CG2-CB 4.27Å; N88-N91 PolarHBondContact N-OD1 3.33Å; N88-N91 VanDerWaalsContact N-OD1 3.08Å; N88-N91 PolarHBondContact O-N 3.22Å; N88-N91 VanDerWaalsContact O-N 3.08Å; N88-N91 PolarHBondContact OD1-N 3Å; N88-N91 PolarHBondContact OD1-OD1 2.99Å; N88-N91 VanDerWaalsContact OD1-OD1 3.12Å; E89-N91 PolarHBondContact O-N 3.39Å; N91-F107 HydrophobicContact CB-CD2 4.11Å; N91-F107 HydrophobicContact CB-CE2 4.28Å
92	T	83.9	Confident	86	Confident	13 Å²	13	87.3 Å²	87.3	8%	0.08	39%	0.385	C	S	.	.	S	Bend	trans	-110.1	154.7	179.2	55.7	0	0	0	0	110.9	E89 Q94 L106 F107 E110	E89-T92 PolarHBondContact O-N 3.36Å; E89-T92 PolarHBondContact O-OG1 2.73Å; T92-Q94 VanDerWaalsContact C-N 3.26Å; T92-Q94 PolarHBondContact O-N 3.4Å; T92-Q94 PolarHBondContact OG1-O 3.43Å; T92-Q94 VanDerWaalsContact OG1-O 3.11Å; T92-L106 HydrophobicContact CG2-CB 3.94Å; T92-F107 HydrophobicContact CG2-CB 4.08Å; T92-E110 WeakPolarHBondContact CA-OE2 3.4Å
93	R	83.6	Confident	85.9	Confident	220 Å²	220	83.1 Å²	83.1	83%	0.83	37%	0.371	S	S	*	.	S	Bend	trans	-71.1	-25.7	174.3	-65.8	-178.7	178.7	-176.1	0.4	112.4	E110	R93-E110 PolarHBondContact N-OE1 3.48Å; R93-E110 VanDerWaalsContact N-OE1 3.08Å; R93-E110 PolarHBondContact N-OE2 3.26Å
94	Q	82.4	Confident	85.8	Confident	112 Å²	112	82.9 Å²	82.9	52%	0.523	37%	0.367	S	S	.	.			trans	-85.8	145.2	-178.6	-57.7	-63	-24.4	0	0	111.8	T92 A99 L106	T92-Q94 VanDerWaalsContact C-N 3.26Å; T92-Q94 PolarHBondContact O-N 3.4Å; T92-Q94 PolarHBondContact OG1-O 3.43Å; T92-Q94 VanDerWaalsContact OG1-O 3.11Å; Q94-A99 HydrophobicContact CB-CB 4.13Å; Q94-L106 HydrophobicContact CB-CD1 4.21Å
95	R	84.3	Confident	85.7	Confident	226 Å²	226	84.9 Å²	84.9	85%	0.853	38%	0.379	S	S	*	.			trans	-123.5	149.8	176.3	-63.2	-175.4	-179.4	-176.6	-0.4	110.7
96	G	87.6	Confident	85.6	Confident	30 Å²	30	86.7 Å²	86.7	31%	0.309	39%	0.389	S	S	.	.	S	Bend	trans	121.3	-178.4	174.2	0	0	0	0	0	114.9	L98 A99 R100	G96-L98 PolarHBondContact O-N 3.41Å; G96-A99 WeakPolarHBondContact O-CB 3.41Å; G96-A99 PolarHBondContact O-N 3.35Å; G96-A99 VanDerWaalsContact O-N 3.1Å; G96-R100 PolarHBondContact O-N 2.83Å
97	W	85.8	Confident	85.6	Confident	171 Å²	171	80.4 Å²	80.4	65%	0.648	36%	0.364	S	S	*	.	H	α-helix	trans	-58.2	-44.3	-173	179.3	89.8	0	0	0	113.6	A99 R100 R101	W97-A99 VanDerWaalsContact C-N 3.3Å; W97-A99 PolarHBondContact O-N 2.93Å; W97-R100 PolarHBondContact O-N 3.29Å; W97-R101 PolarHBondContact O-N 2.97Å
98	L	82.4	Confident	85.8	Confident	108 Å²	108	80.2 Å²	80.2	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-64.8	-38.1	178.3	-158.2	91.1	0	0	0	111.2	G96 R100 R101 L102	G96-L98 PolarHBondContact O-N 3.41Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 3.49Å; L98-R101 PolarHBondContact O-N 3.14Å; L98-L102 HydrophobicContact CD1-CD1 4.46Å; L98-L102 HydrophobicContact CD2-CD1 4.23Å; L98-L102 HydrophobicContact CG-CD1 4.04Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 2.81Å
99	A	84	Confident	85.9	Confident	5 Å²	5	81.7 Å²	81.7	4%	0.041	37%	0.374	C	S	.	.	H	α-helix	trans	-65.8	-35.8	178.1	0	0	0	0	0	112.2	Q94 G96 W97 S103 L106	Q94-A99 HydrophobicContact CB-CB 4.13Å; G96-A99 WeakPolarHBondContact O-CB 3.41Å; G96-A99 PolarHBondContact O-N 3.35Å; G96-A99 VanDerWaalsContact O-N 3.1Å; W97-A99 VanDerWaalsContact C-N 3.3Å; W97-A99 PolarHBondContact O-N 2.93Å; A99-S103 WeakPolarHBondContact O-CA 3.01Å; A99-S103 WeakPolarHBondContact O-CB 3.29Å; A99-S103 PolarHBondContact O-N 2.98Å; A99-L106 HydrophobicContact CB-CD1 3.9Å
100	R	85.1	Confident	86.2	Confident	155 Å²	155	81.5 Å²	81.5	59%	0.585	37%	0.373	S	S	*	.	H	α-helix	trans	-65.6	-39.5	173.4	-66.6	173.1	-173.5	165.6	-3.1	112.5	E89 G96 W97 L98	E89-R100 HydrophobicContact CB-CG 4.27Å; E89-R100 VanDerWaalsContact CD-NE 3.27Å; E89-R100 HydrophobicContact CG-CG 4.48Å; E89-R100 IonicContact OE1-CZ 3.52Å; E89-R100 IonicContact OE1-NE 3.19Å; E89-R100 PolarHBondContact OE1-NE 3.03Å; E89-R100 IonicContact OE1-NH2 2.94Å; E89-R100 PolarHBondContact OE1-NH2 3.06Å; E89-R100 VanDerWaalsContact OE2-CG 3.23Å; E89-R100 WeakPolarHBondContact OE2-CG 3.46Å; E89-R100 IonicContact OE2-CZ 3.54Å; E89-R100 IonicContact OE2-NE 2.79Å; E89-R100 PolarHBondContact OE2-NE 3.35Å; E89-R100 IonicContact OE2-NH2 3.45Å; E89-R100 PolarHBondContact OE2-NH2 2.97Å; G96-R100 PolarHBondContact O-N 2.83Å; W97-R100 PolarHBondContact O-N 3.29Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 3.49Å
101	R	85.8	Confident	86.4	Confident	180 Å²	180	77.9 Å²	77.9	68%	0.679	35%	0.348	S	S	*	.	H	α-helix	trans	-82.6	-26.3	-175.6	-160.1	161.5	-178.9	148.2	-2.4	113.5	W97 L98	W97-R101 PolarHBondContact O-N 2.97Å; L98-R101 PolarHBondContact O-N 3.14Å
102	L	88.7	Confident	86.4	Confident	68 Å²	68	79.5 Å²	79.5	36%	0.356	36%	0.356	S	S	.	.	S	Bend	trans	-114.6	22.4	179.5	-61.3	179.1	0	0	0	112.7	L98 Y104 V105 L106	L98-L102 HydrophobicContact CD1-CD1 4.46Å; L98-L102 HydrophobicContact CD2-CD1 4.23Å; L98-L102 HydrophobicContact CG-CD1 4.04Å; L98-L102 WeakPolarHBondContact O-CB 3.42Å; L98-L102 PolarHBondContact O-N 2.81Å; L102-Y104 VanDerWaalsContact C-N 3.3Å; L102-Y104 PolarHBondContact O-N 3.2Å; L102-V105 HydrophobicContact CB-CB 4.42Å; L102-V105 HydrophobicContact CD2-CG2 4.47Å; L102-V105 PolarHBondContact O-N 2.94Å; L102-L106 HydrophobicContact CB-CG 4.45Å; L102-L106 PolarHBondContact O-N 3.39Å
103	S	87.9	Confident	86.1	Confident	9 Å²	9	79.4 Å²	79.4	6%	0.063	36%	0.356	C	S	.	.	H	α-helix	trans	-51.7	-46.7	-174.5	61.9	0	0	0	0	112.5	I87 A99 V105 L106 F107	I87-S103 PolarHBondContact O-OG 3.42Å; A99-S103 WeakPolarHBondContact O-CA 3.01Å; A99-S103 WeakPolarHBondContact O-CB 3.29Å; A99-S103 PolarHBondContact O-N 2.98Å; S103-V105 PolarHBondContact O-N 2.9Å; S103-L106 PolarHBondContact O-N 3.4Å; S103-F107 WeakPolarHBondContact O-CB 3.06Å; S103-F107 PolarHBondContact O-N 3.14Å
104	Y	88.6	Confident	85.7	Confident	36 Å²	36	74 Å²	74	14%	0.141	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-40.4	176.8	-73.3	-91.6	0	0	0	113.3	I85 I87 L102 V108 L182	I85-Y104 WeakPolarHBondContact O-CE1 3.49Å; I85-Y104 PolarHBondContact O-OH 3.48Å; I87-Y104 HydrophobicContact CB-CD1 4.33Å; I87-Y104 HydrophobicContact CB-CE1 4.06Å; I87-Y104 HydrophobicContact CB-CE2 4.47Å; I87-Y104 HydrophobicContact CD1-CD1 3.79Å; I87-Y104 HydrophobicContact CD1-CE1 3.84Å; I87-Y104 HydrophobicContact CG1-CD1 4.44Å; I87-Y104 HydrophobicContact CG1-CE1 4.1Å; L102-Y104 VanDerWaalsContact C-N 3.3Å; L102-Y104 PolarHBondContact O-N 3.2Å; Y104-V108 WeakPolarHBondContact O-CB 3.4Å; Y104-V108 WeakPolarHBondContact O-CG2 3.46Å; Y104-V108 PolarHBondContact O-N 3.34Å; Y104-L182 HydrophobicContact CD1-CB 3.66Å; Y104-L182 HydrophobicContact CD1-CD1 4.25Å; Y104-L182 HydrophobicContact CD1-CG 4.45Å; Y104-L182 HydrophobicContact CE1-CB 3.84Å
105	V	90.1	Very high	85	Confident	53 Å²	53	77 Å²	77	32%	0.321	35%	0.351	S	S	.	.	H	α-helix	trans	-68.3	-50.4	179.7	177.7	0	0	0	0	109.2	L102 S103 F107 V108 T109 W179	L102-V105 HydrophobicContact CB-CB 4.42Å; L102-V105 HydrophobicContact CD2-CG2 4.47Å; L102-V105 PolarHBondContact O-N 2.94Å; S103-V105 PolarHBondContact O-N 2.9Å; V105-F107 PolarHBondContact O-N 3.1Å; V105-V108 PolarHBondContact O-N 2.82Å; V105-T109 HydrophobicContact CG1-CG2 4.44Å; V105-T109 WeakPolarHBondContact O-CG2 3.46Å; V105-T109 PolarHBondContact O-N 3.35Å; V105-T109 PolarHBondContact O-OG1 2.92Å; V105-T109 VanDerWaalsContact O-OG1 3.09Å; V105-W179 VanDerWaalsContact CG2-NE1 3.33Å
106	L	89.4	Confident	84.2	Confident	38 Å²	38	71.2 Å²	71.2	20%	0.199	34%	0.337	C	S	.	.	H	α-helix	trans	-58.4	-47.6	178.7	-68.5	173.7	0	0	0	111.3	T92 Q94 A99 L102 S103 V108 T109 E110	T92-L106 HydrophobicContact CG2-CB 3.94Å; Q94-L106 HydrophobicContact CB-CD1 4.21Å; A99-L106 HydrophobicContact CB-CD1 3.9Å; L102-L106 HydrophobicContact CB-CG 4.45Å; L102-L106 PolarHBondContact O-N 3.39Å; S103-L106 PolarHBondContact O-N 3.4Å; L106-V108 VanDerWaalsContact C-N 3.33Å; L106-V108 PolarHBondContact O-N 3.16Å; L106-T109 VanDerWaalsContact CA-OG1 3.3Å; L106-T109 WeakPolarHBondContact CA-OG1 3.17Å; L106-T109 PolarHBondContact O-N 2.62Å; L106-T109 PolarHBondContact O-OG1 3.23Å; L106-E110 WeakPolarHBondContact O-CB 3.38Å; L106-E110 VanDerWaalsContact O-CG 3.26Å; L106-E110 WeakPolarHBondContact O-CG 3.48Å; L106-E110 PolarHBondContact O-N 3.31Å
107	F	89.9	Confident	83.7	Confident	9 Å²	9	71.5 Å²	71.5	4%	0.039	33%	0.331	C	S	.	.	H	α-helix	trans	-55.4	-46.8	179.1	178	-95.4	0	0	0	112.6	I87 N91 T92 S103 V105 E110 R111 L182 C234	I87-F107 HydrophobicContact CD1-CB 4.4Å; I87-F107 HydrophobicContact CD1-CD1 3.51Å; I87-F107 HydrophobicContact CD1-CD2 4.46Å; I87-F107 HydrophobicContact CD1-CE1 3.78Å; I87-F107 HydrophobicContact CD1-CG 3.87Å; I87-F107 HydrophobicContact CD1-CZ 4.37Å; I87-F107 HydrophobicContact CG2-CB 3.79Å; I87-F107 HydrophobicContact CG2-CD2 4.04Å; I87-F107 HydrophobicContact CG2-CG 3.9Å; N91-F107 HydrophobicContact CB-CD2 4.11Å; N91-F107 HydrophobicContact CB-CE2 4.28Å; T92-F107 HydrophobicContact CG2-CB 4.08Å; S103-F107 WeakPolarHBondContact O-CB 3.06Å; S103-F107 PolarHBondContact O-N 3.14Å; V105-F107 PolarHBondContact O-N 3.1Å; F107-E110 PolarHBondContact O-N 2.96Å; F107-R111 HydrophobicContact CE1-CG 4.47Å; F107-R111 WeakPolarHBondContact O-CG 3.48Å; F107-R111 PolarHBondContact O-N 3.26Å; F107-R111 PolarHBondContact O-NE 3.13Å; F107-L182 HydrophobicContact CD1-CD1 4.22Å; F107-L182 HydrophobicContact CE1-CD1 4.4Å; F107-C234 HydrophobicContact CE1-CB 4.09Å; F107-C234 HydrophobicContact CZ-CB 4.06Å; F107-C234 WeakPolarHBondContact CZ-O 3.29Å
108	V	90.1	Very high	83.3	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.03	31%	0.305	C	S	.	.	H	α-helix	trans	-69.8	-38.9	-179.9	168.1	0	0	0	0	111.6	Y104 V105 L106 E110 R111 R175 W179 L182 F233	Y104-V108 WeakPolarHBondContact O-CB 3.4Å; Y104-V108 WeakPolarHBondContact O-CG2 3.46Å; Y104-V108 PolarHBondContact O-N 3.34Å; V105-V108 PolarHBondContact O-N 2.82Å; L106-V108 VanDerWaalsContact C-N 3.33Å; L106-V108 PolarHBondContact O-N 3.16Å; V108-E110 VanDerWaalsContact C-N 3.29Å; V108-E110 PolarHBondContact O-N 3.43Å; V108-R111 PolarHBondContact O-N 3.4Å; V108-R175 HydrophobicContact CG1-CB 3.72Å; V108-R175 HydrophobicContact CG1-CG 4.16Å; V108-R175 WeakPolarHBondContact CG1-O 3.16Å; V108-W179 HydrophobicContact CB-CB 4.45Å; V108-W179 HydrophobicContact CG1-CB 4.23Å; V108-W179 HydrophobicContact CG2-CB 4.02Å; V108-L182 HydrophobicContact CG2-CD1 3.79Å; V108-F233 HydrophobicContact CG1-CE1 4.35Å; V108-F233 HydrophobicContact CG1-CZ 3.99Å; V108-F233 HydrophobicContact CG2-CE1 4.21Å
109	T	87.6	Confident	83.2	Confident	80 Å²	80	60.9 Å²	60.9	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-31.5	176.1	51.9	0	0	0	0	112.6	V105 L106 R111	V105-T109 HydrophobicContact CG1-CG2 4.44Å; V105-T109 WeakPolarHBondContact O-CG2 3.46Å; V105-T109 PolarHBondContact O-N 3.35Å; V105-T109 PolarHBondContact O-OG1 2.92Å; V105-T109 VanDerWaalsContact O-OG1 3.09Å; L106-T109 VanDerWaalsContact CA-OG1 3.3Å; L106-T109 WeakPolarHBondContact CA-OG1 3.17Å; L106-T109 PolarHBondContact O-N 2.62Å; L106-T109 PolarHBondContact O-OG1 3.23Å; T109-R111 VanDerWaalsContact C-N 3.28Å; T109-R111 PolarHBondContact O-N 3.12Å
110	E	88.1	Confident	83.1	Confident	49 Å²	49	68.4 Å²	68.4	23%	0.229	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-9.2	176.3	-72.4	176.4	-171.5	0	0	113.3	T92 R93 L106 F107 V108	T92-E110 WeakPolarHBondContact CA-OE2 3.4Å; R93-E110 PolarHBondContact N-OE1 3.48Å; R93-E110 VanDerWaalsContact N-OE1 3.08Å; R93-E110 PolarHBondContact N-OE2 3.26Å; L106-E110 WeakPolarHBondContact O-CB 3.38Å; L106-E110 VanDerWaalsContact O-CG 3.26Å; L106-E110 WeakPolarHBondContact O-CG 3.48Å; L106-E110 PolarHBondContact O-N 3.31Å; F107-E110 PolarHBondContact O-N 2.96Å; V108-E110 VanDerWaalsContact C-N 3.29Å; V108-E110 PolarHBondContact O-N 3.43Å
111	R	88.5	Confident	83.1	Confident	32 Å²	32	66.6 Å²	66.6	12%	0.121	32%	0.317	C	S	.	.	S	Bend	trans	-71.2	139.6	177.6	-65.4	-52.2	93	-175.6	2.4	111.2	F107 V108 T109 V113 R175 F233 C234 N236	F107-R111 HydrophobicContact CE1-CG 4.47Å; F107-R111 WeakPolarHBondContact O-CG 3.48Å; F107-R111 PolarHBondContact O-N 3.26Å; F107-R111 PolarHBondContact O-NE 3.13Å; V108-R111 PolarHBondContact O-N 3.4Å; T109-R111 VanDerWaalsContact C-N 3.28Å; T109-R111 PolarHBondContact O-N 3.12Å; R111-V113 PolarHBondContact O-N 3.49Å; R111-R175 PolarHBondContact O-NH2 2.89Å; R111-F233 HydrophobicContact CB-CD2 4.45Å; R111-F233 HydrophobicContact CB-CE2 3.67Å; R111-F233 HydrophobicContact CB-CZ 3.72Å; R111-F233 WeakPolarHBondContact CD-O 3.47Å; R111-F233 HydrophobicContact CG-CE1 3.91Å; R111-F233 HydrophobicContact CG-CE2 3.95Å; R111-F233 HydrophobicContact CG-CZ 3.58Å; R111-C234 PolarHBondContact NH1-O 3.21Å; R111-N236 WeakPolarHBondContact CD-OD1 3.32Å; R111-N236 PolarHBondContact NH1-ND2 2.94Å
112	D	79.9	Confident	83.2	Confident	71 Å²	71	58.4 Å²	58.4	38%	0.38	29%	0.286	S	S	.	.			trans	-73.6	109.1	178.2	-167.3	-0.6	0	0	0	110.3	H114 N236	D112-H114 IonicContact OD1-CD2 3.24Å; D112-H114 PolarHBondContact OD1-CD2 3.38Å; D112-H114 IonicContact OD1-CE1 3.77Å; D112-H114 PolarHBondContact OD1-CE1 3.3Å; D112-H114 VanDerWaalsContact OD1-CE1 3.24Å; D112-H114 IonicContact OD1-CG 3.45Å; D112-H114 IonicContact OD1-ND1 2.92Å; D112-H114 PolarHBondContact OD1-ND1 2.99Å; D112-H114 IonicContact OD1-NE2 3.78Å; D112-H114 PolarHBondContact OD1-NE2 2.88Å; D112-H114 IonicContact OD2-CD2 3.96Å; D112-H114 IonicContact OD2-NE2 2.81Å; D112-N236 HydrophobicContact CB-CB 4.46Å; D112-N236 PolarHBondContact N-OD1 3.34Å; D112-N236 VanDerWaalsContact N-OD1 3.12Å
113	V	77.9	Confident	83.1	Confident	11 Å²	11	56.5 Å²	56.5	7%	0.067	28%	0.278	C	S	.	.			trans	-140.7	90	176.2	-169	0	0	0	0	106.9	R111 F118 P171 I174 R175 F233	R111-V113 PolarHBondContact O-N 3.49Å; V113-F118 HydrophobicContact CG1-CE2 3.8Å; V113-F118 HydrophobicContact CG1-CZ 3.73Å; V113-P171 HydrophobicContact CG1-CB 3.78Å; V113-P171 HydrophobicContact CG1-CG 4.45Å; V113-I174 HydrophobicContact CG1-CD1 4.44Å; V113-R175 HydrophobicContact CG2-CG 4.38Å; V113-R175 PolarHBondContact O-NH2 3.36Å; V113-F233 HydrophobicContact CG2-CD2 4.2Å; V113-F233 HydrophobicContact CG2-CE2 3.64Å
114	H	74.6	Confident	83.2	Confident	106 Å²	106	59.2 Å²	59.2	49%	0.491	29%	0.291	S	S	.	.			trans	-99.7	154.6	177.9	-60.5	-41.9	0	0	0	111.3	D112 D116 M117 F118	D112-H114 IonicContact OD1-CD2 3.24Å; D112-H114 PolarHBondContact OD1-CD2 3.38Å; D112-H114 IonicContact OD1-CE1 3.77Å; D112-H114 PolarHBondContact OD1-CE1 3.3Å; D112-H114 VanDerWaalsContact OD1-CE1 3.24Å; D112-H114 IonicContact OD1-CG 3.45Å; D112-H114 IonicContact OD1-ND1 2.92Å; D112-H114 PolarHBondContact OD1-ND1 2.99Å; D112-H114 IonicContact OD1-NE2 3.78Å; D112-H114 PolarHBondContact OD1-NE2 2.88Å; D112-H114 IonicContact OD2-CD2 3.96Å; D112-H114 IonicContact OD2-NE2 2.81Å; H114-D116 VanDerWaalsContact C-N 3.29Å; H114-D116 WeakPolarHBondContact CB-OD1 3.24Å; H114-D116 IonicContact CG-OD1 2.85Å; H114-D116 PolarHBondContact O-N 3.19Å; H114-M117 HydrophobicContact CB-CG 4.32Å; H114-M117 PolarHBondContact N-SD 2.92Å; H114-M117 WeakPolarHBondContact O-CB 3.4Å; H114-M117 PolarHBondContact O-N 3.29Å; H114-F118 WeakPolarHBondContact O-CD2 3.21Å; H114-F118 VanDerWaalsContact O-CE2 3.29Å; H114-F118 WeakPolarHBondContact O-CE2 3.27Å
115	K	68.6	Low	83.4	Confident	176 Å²	176	60.6 Å²	60.6	77%	0.765	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-69.7	-26.2	-175.1	-75	-176.3	178.5	178.6	0	113.2	M117 F118 P171	K115-M117 VanDerWaalsContact C-N 3.28Å; K115-F118 PolarHBondContact O-N 3.47Å; K115-P171 HydrophobicContact CG-CG 4.3Å
116	D	67.8	Low	83.5	Confident	103 Å²	103	58.1 Å²	58.1	55%	0.551	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-71.8	-17.3	175.1	62.2	-37.8	0	0	0	113.7	H114 F118	H114-D116 VanDerWaalsContact C-N 3.29Å; H114-D116 WeakPolarHBondContact CB-OD1 3.24Å; H114-D116 IonicContact CG-OD1 2.85Å; H114-D116 PolarHBondContact O-N 3.19Å; D116-F118 PolarHBondContact O-N 3.27Å
117	M	75.9	Confident	83.5	Confident	37 Å²	37	56.4 Å²	56.4	18%	0.182	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-65.3	-26.4	171.2	-61.1	178.7	73.5	0	0	111.8	H114 K115 K238 Q297	H114-M117 HydrophobicContact CB-CG 4.32Å; H114-M117 PolarHBondContact N-SD 2.92Å; H114-M117 WeakPolarHBondContact O-CB 3.4Å; H114-M117 PolarHBondContact O-N 3.29Å; K115-M117 VanDerWaalsContact C-N 3.28Å; M117-K238 HydrophobicContact CE-CB 3.65Å; M117-K238 HydrophobicContact CE-CG 4.04Å; M117-K238 WeakPolarHBondContact O-CE 3.2Å; M117-K238 PolarHBondContact O-NZ 3.46Å; M117-K238 VanDerWaalsContact O-NZ 3.16Å; M117-Q297 PolarHBondContact O-NE2 3.48Å; M117-Q297 PolarHBondContact O-OE1 3.43Å
118	F	78.9	Confident	83.6	Confident	23 Å²	23	60.7 Å²	60.7	10%	0.101	30%	0.3	C	S	.	.	S	Bend	trans	-98.3	161.3	-174.6	-53.3	-66.3	0	0	0	112.5	V113 H114 K115 D116 V169 P171 I174	V113-F118 HydrophobicContact CG1-CE2 3.8Å; V113-F118 HydrophobicContact CG1-CZ 3.73Å; H114-F118 WeakPolarHBondContact O-CD2 3.21Å; H114-F118 VanDerWaalsContact O-CE2 3.29Å; H114-F118 WeakPolarHBondContact O-CE2 3.27Å; K115-F118 PolarHBondContact O-N 3.47Å; D116-F118 PolarHBondContact O-N 3.27Å; F118-V169 HydrophobicContact CB-CB 4.39Å; F118-V169 HydrophobicContact CD1-CB 3.64Å; F118-V169 HydrophobicContact CD1-CG1 3.29Å; F118-V169 HydrophobicContact CD1-CG2 4Å; F118-V169 HydrophobicContact CD2-CG1 4.37Å; F118-V169 HydrophobicContact CE1-CB 4.11Å; F118-V169 HydrophobicContact CE1-CG1 3.23Å; F118-V169 HydrophobicContact CE2-CG1 4.32Å; F118-V169 HydrophobicContact CG-CB 3.96Å; F118-V169 HydrophobicContact CG-CG1 3.89Å; F118-V169 HydrophobicContact CZ-CG1 3.77Å; F118-P171 HydrophobicContact CD2-CG 4.23Å; F118-P171 HydrophobicContact CE2-CG 3.83Å; F118-I174 HydrophobicContact CE1-CD1 3.68Å; F118-I174 HydrophobicContact CE2-CD1 4.39Å; F118-I174 HydrophobicContact CZ-CD1 3.4Å
119	T	80.3	Confident	83.7	Confident	32 Å²	32	61.5 Å²	61.5	20%	0.196	31%	0.307	C	S	.	.			trans	-68	152.7	-176	55.8	0	0	0	0	113.1	V122 L292 Q297	T119-V122 HydrophobicContact CG2-CG2 3.97Å; T119-V122 WeakPolarHBondContact OG1-CG2 3.49Å; T119-L292 HydrophobicContact CG2-CD2 3.62Å; T119-Q297 VanDerWaalsContact CG2-CD 3.46Å; T119-Q297 HydrophobicContact CG2-CG 3.34Å
120	R	82.3	Confident	83.8	Confident	163 Å²	163	62.3 Å²	62.3	62%	0.615	32%	0.315	S	S	*	.			trans	-121.9	134.6	178.4	-61.4	-177.6	-177.1	176.8	1.6	109.8	V122 Q295	R120-V122 PolarHBondContact O-N 3Å; R120-Q295 PolarHBondContact O-NE2 3.35Å
121	N	83.9	Confident	83.8	Confident	118 Å²	118	65.7 Å²	65.7	63%	0.631	33%	0.326	S	S	*	.	S	Bend	trans	50.8	28.6	172.5	-58.7	-22	0	0	0	116	V123 D124 N125	N121-V123 VanDerWaalsContact C-N 3.28Å; N121-V123 PolarHBondContact O-N 3.33Å; N121-D124 PolarHBondContact O-N 3.2Å; N121-D124 VanDerWaalsContact O-N 3.15Å; N121-N125 VanDerWaalsContact O-CG 3.28Å; N121-N125 PolarHBondContact O-N 3.26Å; N121-N125 PolarHBondContact O-OD1 3.4Å
122	V	87.5	Confident	84	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-57	-41.2	-175	-174.9	0	0	0	0	112.5	T119 R120 D124 N125 V126 Y288 E291	T119-V122 HydrophobicContact CG2-CG2 3.97Å; T119-V122 WeakPolarHBondContact OG1-CG2 3.49Å; R120-V122 PolarHBondContact O-N 3Å; V122-D124 VanDerWaalsContact C-N 3.33Å; V122-D124 PolarHBondContact O-N 2.89Å; V122-N125 PolarHBondContact O-N 3Å; V122-V126 HydrophobicContact CG1-CG2 3.97Å; V122-V126 WeakPolarHBondContact O-CB 3.33Å; V122-V126 WeakPolarHBondContact O-CG2 2.93Å; V122-V126 PolarHBondContact O-N 3.37Å; V122-Y288 HydrophobicContact CG1-CD2 3.49Å; V122-Y288 VanDerWaalsContact CG1-CD2 3.49Å; V122-Y288 HydrophobicContact CG1-CE2 3.57Å; V122-E291 HydrophobicContact CG1-CB 4.44Å; V122-E291 HydrophobicContact CG1-CG 4.05Å
123	V	88	Confident	84.5	Confident	29 Å²	29	65 Å²	65	18%	0.176	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-47.1	-179.4	175.2	0	0	0	0	111	N121 L127 L162 V166	N121-V123 VanDerWaalsContact C-N 3.28Å; N121-V123 PolarHBondContact O-N 3.33Å; V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CB 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.26Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 2.85Å; V123-L127 VanDerWaalsContact O-N 3.14Å; V123-L162 HydrophobicContact CB-CD2 4.36Å; V123-L162 HydrophobicContact CG1-CD2 4.04Å; V123-V166 HydrophobicContact CG2-CB 4.41Å; V123-V166 HydrophobicContact CG2-CG1 4.15Å; V123-V166 HydrophobicContact CG2-CG2 4.03Å
124	D	89.8	Confident	85.1	Confident	65 Å²	65	67 Å²	67	35%	0.348	34%	0.337	S	S	.	.	H	α-helix	trans	-76.9	-37.3	-176.3	-58.6	-45.8	0	0	0	111	N121 V122 V126 L127 N128 R159	N121-D124 PolarHBondContact O-N 3.2Å; N121-D124 VanDerWaalsContact O-N 3.15Å; V122-D124 VanDerWaalsContact C-N 3.33Å; V122-D124 PolarHBondContact O-N 2.89Å; D124-V126 VanDerWaalsContact C-N 3.33Å; D124-V126 PolarHBondContact O-N 3.04Å; D124-L127 PolarHBondContact O-N 3.16Å; D124-N128 WeakPolarHBondContact O-CB 3.31Å; D124-N128 PolarHBondContact O-N 2.95Å; D124-N128 PolarHBondContact O-ND2 3.32Å; D124-R159 IonicContact OD1-CZ 2.79Å; D124-R159 IonicContact OD1-NH1 3.6Å; D124-R159 PolarHBondContact OD1-NH1 2.86Å; D124-R159 IonicContact OD1-NH2 3.9Å
125	N	91.8	Very high	85.7	Confident	66 Å²	66	62.7 Å²	62.7	35%	0.353	32%	0.317	S	S	.	.	H	α-helix	trans	-59.9	-42.8	174	-68.5	0.9	0	0	0	111.8	N121 V122 S129 E291	N121-N125 VanDerWaalsContact O-CG 3.28Å; N121-N125 PolarHBondContact O-N 3.26Å; N121-N125 PolarHBondContact O-OD1 3.4Å; V122-N125 PolarHBondContact O-N 3Å; N125-S129 PolarHBondContact O-N 3.3Å; N125-E291 HydrophobicContact CB-CG 4.21Å; N125-E291 PolarHBondContact ND2-OE1 3.4Å
126	V	91.7	Very high	86.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-43.2	178.3	170.7	0	0	0	0	111.1	V122 D124 N128 S129 V132 L162 L284 T287 Y288 E291	V122-V126 HydrophobicContact CG1-CG2 3.97Å; V122-V126 WeakPolarHBondContact O-CB 3.33Å; V122-V126 WeakPolarHBondContact O-CG2 2.93Å; V122-V126 PolarHBondContact O-N 3.37Å; D124-V126 VanDerWaalsContact C-N 3.33Å; D124-V126 PolarHBondContact O-N 3.04Å; V126-N128 VanDerWaalsContact C-N 3.28Å; V126-N128 PolarHBondContact O-N 2.99Å; V126-S129 WeakPolarHBondContact O-CB 2.97Å; V126-S129 PolarHBondContact O-N 3.19Å; V126-V132 HydrophobicContact CG1-CG2 4.29Å; V126-V132 WeakPolarHBondContact O-CB 3.37Å; V126-V132 WeakPolarHBondContact O-CG2 3.22Å; V126-L162 HydrophobicContact CB-CD2 3.86Å; V126-L162 HydrophobicContact CG1-CD1 4.19Å; V126-L162 HydrophobicContact CG1-CD2 3.73Å; V126-L284 HydrophobicContact CG1-CD2 4.1Å; V126-T287 HydrophobicContact CB-CG2 4.24Å; V126-T287 HydrophobicContact CG1-CG2 3.94Å; V126-T287 HydrophobicContact CG2-CG2 4.22Å; V126-Y288 HydrophobicContact CG2-CD2 4.49Å; V126-E291 HydrophobicContact CG2-CB 4.2Å
127	L	90.8	Very high	87.6	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-25.7	-179.8	-72.5	172.3	0	0	0	113.7	V123 D124 A158 R159 L162	V123-L127 HydrophobicContact CG1-CD1 4.07Å; V123-L127 WeakPolarHBondContact O-CB 3.47Å; V123-L127 VanDerWaalsContact O-CG 3.26Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 2.85Å; V123-L127 VanDerWaalsContact O-N 3.14Å; D124-L127 PolarHBondContact O-N 3.16Å; L127-A158 HydrophobicContact CD2-CB 4Å; L127-R159 HydrophobicContact CD1-CB 3.96Å; L127-R159 HydrophobicContact CD1-CG 3.95Å; L127-L162 HydrophobicContact CD2-CD2 4.41Å; L127-L162 HydrophobicContact CG-CD2 4.07Å
128	N	91.5	Very high	88.1	Confident	98 Å²	98	56.8 Å²	56.8	52%	0.524	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4	178	-63.1	-19.3	0	0	0	112.9	D124 V126	D124-N128 WeakPolarHBondContact O-CB 3.31Å; D124-N128 PolarHBondContact O-N 2.95Å; D124-N128 PolarHBondContact O-ND2 3.32Å; V126-N128 VanDerWaalsContact C-N 3.28Å; V126-N128 PolarHBondContact O-N 2.99Å
129	S	92.3	Very high	88.4	Confident	23 Å²	23	57.8 Å²	57.8	16%	0.161	30%	0.302	C	S	.	.	S	Bend	trans	-70.9	135.2	175.5	177.5	0	0	0	0	110.7	N125 V126 R131 V132 E133 T287	N125-S129 PolarHBondContact O-N 3.3Å; V126-S129 WeakPolarHBondContact O-CB 2.97Å; V126-S129 PolarHBondContact O-N 3.19Å; S129-R131 PolarHBondContact O-N 3.18Å; S129-R131 VanDerWaalsContact O-N 3.14Å; S129-V132 PolarHBondContact O-N 3.02Å; S129-E133 PolarHBondContact O-N 3.36Å; S129-T287 VanDerWaalsContact CB-CG2 3.47Å
130	S	90.5	Very high	88.6	Confident	96 Å²	96	56.6 Å²	56.6	67%	0.671	30%	0.296	S	S	*	.	H	α-helix	trans	-53	-36.6	178.2	59	0	0	0	0	113.1	S134	S130-S134 WeakPolarHBondContact O-CB 3.44Å; S130-S134 PolarHBondContact O-N 3.22Å
131	R	88.4	Confident	88.6	Confident	120 Å²	120	52.7 Å²	52.7	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-63.3	-44.2	176.8	-175.6	-179.9	176.8	112.5	-3.3	111.9	S129 T135	S129-R131 PolarHBondContact O-N 3.18Å; S129-R131 VanDerWaalsContact O-N 3.14Å; R131-T135 WeakPolarHBondContact O-CB 3.46Å; R131-T135 PolarHBondContact O-N 3.32Å; R131-T135 PolarHBondContact O-OG1 3.04Å
132	V	90.8	Very high	88.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-73	-43.2	-179.4	174.8	0	0	0	0	110.3	V126 S129 S134 T135 I136 L284 T287	V126-V132 HydrophobicContact CG1-CG2 4.29Å; V126-V132 WeakPolarHBondContact O-CB 3.37Å; V126-V132 WeakPolarHBondContact O-CG2 3.22Å; S129-V132 PolarHBondContact O-N 3.02Å; V132-S134 PolarHBondContact O-N 3Å; V132-T135 PolarHBondContact O-N 2.81Å; V132-T135 VanDerWaalsContact O-N 3.14Å; V132-I136 HydrophobicContact CG1-CD1 3.74Å; V132-I136 HydrophobicContact CG1-CG1 4.26Å; V132-I136 WeakPolarHBondContact O-CB 3.31Å; V132-I136 VanDerWaalsContact O-CG1 3.27Å; V132-I136 WeakPolarHBondContact O-CG1 3.29Å; V132-I136 PolarHBondContact O-N 2.99Å; V132-L284 HydrophobicContact CG1-CD2 3.78Å; V132-L284 HydrophobicContact CG2-CD2 4.24Å; V132-T287 HydrophobicContact CG2-CG2 3.94Å
133	E	91.2	Very high	87	Confident	89 Å²	89	54.1 Å²	54.1	42%	0.416	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-43.8	176	-68.4	-170.5	150.7	0	0	112.3	S129 T135 I136 S137	S129-E133 PolarHBondContact O-N 3.36Å; E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.48Å; E133-I136 PolarHBondContact O-N 3.04Å; E133-S137 PolarHBondContact O-N 3.46Å; E133-S137 PolarHBondContact O-OG 2.93Å; E133-S137 VanDerWaalsContact O-OG 3.1Å
134	S	89.7	Confident	85.3	Confident	54 Å²	54	60.5 Å²	60.5	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-45.3	172.1	174.3	0	0	0	0	111.8	S130 V132 S137 K138	S130-S134 WeakPolarHBondContact O-CB 3.44Å; S130-S134 PolarHBondContact O-N 3.22Å; V132-S134 PolarHBondContact O-N 3Å; S134-S137 PolarHBondContact O-N 3.23Å; S134-K138 WeakPolarHBondContact O-CG 3.31Å; S134-K138 PolarHBondContact O-N 2.84Å
135	T	88.4	Confident	83.7	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.086	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-42.1	-179.7	-53.9	0	0	0	0	111.5	R131 V132 E133 S137 K138 V139 I279 L280 S283	R131-T135 WeakPolarHBondContact O-CB 3.46Å; R131-T135 PolarHBondContact O-N 3.32Å; R131-T135 PolarHBondContact O-OG1 3.04Å; V132-T135 PolarHBondContact O-N 2.81Å; V132-T135 VanDerWaalsContact O-N 3.14Å; E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.48Å; T135-S137 VanDerWaalsContact C-N 3.32Å; T135-S137 PolarHBondContact O-N 3.3Å; T135-K138 PolarHBondContact O-N 2.81Å; T135-V139 HydrophobicContact CG2-CG2 4.32Å; T135-V139 VanDerWaalsContact O-CG2 3.31Å; T135-V139 WeakPolarHBondContact O-CG2 3.45Å; T135-V139 PolarHBondContact O-N 3.2Å; T135-I279 HydrophobicContact CG2-CG2 3.94Å; T135-L280 HydrophobicContact CG2-CD1 4.4Å; T135-S283 WeakPolarHBondContact OG1-CB 3.43Å; T135-S283 PolarHBondContact OG1-OG 3.29Å
136	I	88.2	Confident	81.7	Confident	4 Å²	4	63 Å²	63	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-59.6	-45.4	176.6	-72.9	169.2	0	0	0	110.1	V132 E133 V139 A140 V151 V154 K155 A158 L280	V132-I136 HydrophobicContact CG1-CD1 3.74Å; V132-I136 HydrophobicContact CG1-CG1 4.26Å; V132-I136 WeakPolarHBondContact O-CB 3.31Å; V132-I136 VanDerWaalsContact O-CG1 3.27Å; V132-I136 WeakPolarHBondContact O-CG1 3.29Å; V132-I136 PolarHBondContact O-N 2.99Å; E133-I136 PolarHBondContact O-N 3.04Å; I136-V139 PolarHBondContact O-N 3.37Å; I136-A140 VanDerWaalsContact O-CB 3.3Å; I136-A140 WeakPolarHBondContact O-CB 3.42Å; I136-A140 PolarHBondContact O-N 3.07Å; I136-V151 HydrophobicContact CG2-CG1 3.91Å; I136-V154 HydrophobicContact CB-CG1 4.39Å; I136-V154 HydrophobicContact CG1-CG1 4.41Å; I136-V154 HydrophobicContact CG2-CB 4.03Å; I136-V154 HydrophobicContact CG2-CG1 3.88Å; I136-K155 HydrophobicContact CD1-CB 4.45Å; I136-K155 HydrophobicContact CD1-CG 4.44Å; I136-A158 HydrophobicContact CD1-CB 4.16Å; I136-A158 HydrophobicContact CG1-CB 4.49Å; I136-L280 HydrophobicContact CG1-CD1 3.98Å
137	S	87.7	Confident	80.1	Confident	66 Å²	66	68.5 Å²	68.5	46%	0.462	39%	0.393	S	S	.	.	H	α-helix	trans	-63.3	-42.4	177.9	-63.6	0	0	0	0	112.2	E133 S134 T135 A140 A141	E133-S137 PolarHBondContact O-N 3.46Å; E133-S137 PolarHBondContact O-OG 2.93Å; E133-S137 VanDerWaalsContact O-OG 3.1Å; S134-S137 PolarHBondContact O-N 3.23Å; T135-S137 VanDerWaalsContact C-N 3.32Å; T135-S137 PolarHBondContact O-N 3.3Å; S137-A140 PolarHBondContact O-N 2.84Å; S137-A141 PolarHBondContact O-N 3.16Å
138	K	86.7	Confident	78.6	Confident	122 Å²	122	72.6 Å²	72.6	53%	0.53	42%	0.422	S	S	.	.	H	α-helix	trans	-61.3	-49.2	175.1	-72.6	175	-178.6	-177.8	0	112	S134 T135 A140 A141 E142	S134-K138 WeakPolarHBondContact O-CG 3.31Å; S134-K138 PolarHBondContact O-N 2.84Å; T135-K138 PolarHBondContact O-N 2.81Å; K138-A140 VanDerWaalsContact C-N 3.29Å; K138-A140 PolarHBondContact O-N 2.97Å; K138-A141 PolarHBondContact O-N 3.46Å; K138-A141 VanDerWaalsContact O-N 3.12Å; K138-E142 WeakPolarHBondContact O-CG 3.34Å; K138-E142 PolarHBondContact O-N 3.08Å
139	V	85.3	Confident	77.4	Confident	45 Å²	45	70.6 Å²	70.6	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-65.2	-33.9	179.5	173.1	0	0	0	0	111.7	T135 I136 A141 S143 V154 L280	T135-V139 HydrophobicContact CG2-CG2 4.32Å; T135-V139 VanDerWaalsContact O-CG2 3.31Å; T135-V139 WeakPolarHBondContact O-CG2 3.45Å; T135-V139 PolarHBondContact O-N 3.2Å; I136-V139 PolarHBondContact O-N 3.37Å; V139-A141 VanDerWaalsContact C-N 3.34Å; V139-S143 PolarHBondContact O-N 3.33Å; V139-V154 HydrophobicContact CB-CG1 4.44Å; V139-V154 HydrophobicContact CG1-CG1 4.18Å; V139-L280 HydrophobicContact CG2-CB 4.48Å
140	A	84.3	Confident	76.7	Confident	7 Å²	7	72.4 Å²	72.4	6%	0.058	42%	0.42	C	S	.	.	H	α-helix	trans	-66.8	-35.2	174.3	0	0	0	0	0	112.3	I136 S137 K138 V151 V154	I136-A140 VanDerWaalsContact O-CB 3.3Å; I136-A140 WeakPolarHBondContact O-CB 3.42Å; I136-A140 PolarHBondContact O-N 3.07Å; S137-A140 PolarHBondContact O-N 2.84Å; K138-A140 VanDerWaalsContact C-N 3.29Å; K138-A140 PolarHBondContact O-N 2.97Å; A140-V151 HydrophobicContact CB-CG2 4.05Å; A140-V154 HydrophobicContact CB-CG2 4.1Å
141	A	82.2	Confident	76.4	Confident	80 Å²	80	71.4 Å²	71.4	66%	0.661	41%	0.41	S	S	*	.	H	α-helix	trans	-76.9	-34.1	178.3	0	0	0	0	0	113.5	S137 K138 V139	S137-A141 PolarHBondContact O-N 3.16Å; K138-A141 PolarHBondContact O-N 3.46Å; K138-A141 VanDerWaalsContact O-N 3.12Å; V139-A141 VanDerWaalsContact C-N 3.34Å
142	E	74.2	Confident	76.2	Confident	122 Å²	122	69.6 Å²	69.6	57%	0.57	42%	0.416	S	S	*	.	S	Bend	trans	-86.1	-2.5	-176.1	-71.2	176.1	-169.2	0	0	114.7	K138 E144	K138-E142 WeakPolarHBondContact O-CG 3.34Å; K138-E142 PolarHBondContact O-N 3.08Å; E142-E144 PolarHBondContact O-N 3.42Å
143	S	63.3	Low	75.9	Confident	34 Å²	34	75.4 Å²	75.4	24%	0.238	44%	0.441	C	S	.	.			trans	-69.2	116.1	-176.8	-175.7	0	0	0	0	111.5	V139 A145 Q149	V139-S143 PolarHBondContact O-N 3.33Å; S143-A145 PolarHBondContact O-N 3.49Å; S143-Q149 PolarHBondContact OG-NE2 3.3Å
144	E	53.6	Low	75.6	Confident	162 Å²	162	71.2 Å²	71.2	76%	0.757	42%	0.422	S	S	*	.			trans	-64.1	12.7	179.1	-64.2	-178.3	177.3	0	0	115.8	E142	E142-E144 PolarHBondContact O-N 3.42Å
145	A	55.6	Low	75.5	Confident	43 Å²	43	72.5 Å²	72.5	36%	0.355	42%	0.42	S	S	.	.	S	Bend	trans	-75.9	144	173.9	0	0	0	0	0	109.2	S143 V147	S143-A145 PolarHBondContact O-N 3.49Å; A145-V147 CarbonylContact O-C 3.58Å; A145-V147 PolarHBondContact O-N 3.07Å
146	P	50.6	Low	75.5	Confident	142 Å²	142	78.6 Å²	78.6	92%	0.922	45%	0.448	S	S	*	.	S	Bend	trans	-61.8	-6.3	179.5	23.2	-32.4	0	0	0	113.9
147	V	57.2	Low	75.5	Confident	115 Å²	115	83.4 Å²	83.4	70%	0.697	47%	0.468	S	S	*	.	S	Bend	trans	-129.4	121.6	170	-176.9	0	0	0	0	107.6	A145 Q149	A145-V147 CarbonylContact O-C 3.58Å; A145-V147 PolarHBondContact O-N 3.07Å; V147-Q149 PolarHBondContact O-N 3.33Å
148	S	59	Low	75.5	Confident	89 Å²	89	80.2 Å²	80.2	62%	0.622	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-48.1	127.3	174.2	-46.7	0	0	0	0	110
149	Q	65.9	Low	75.7	Confident	56 Å²	56	79.1 Å²	79.1	26%	0.262	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-64.6	129.4	179	-74.2	-172.9	17.9	0	0	109	S143 V147 V151 V154	S143-Q149 PolarHBondContact OG-NE2 3.3Å; V147-Q149 PolarHBondContact O-N 3.33Å; Q149-V151 PolarHBondContact O-N 3.39Å; Q149-V154 HydrophobicContact CB-CG2 4.26Å
150	P	79	Confident	75.8	Confident	60 Å²	60	79.2 Å²	79.2	39%	0.39	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-61.4	136	177	23.1	-32.3	0	0	0	109.9	S152 K153 V154	P150-S152 PolarHBondContact O-N 2.74Å; P150-K153 HydrophobicContact CG-CB 4.25Å; P150-K153 HydrophobicContact CG-CD 3.76Å; P150-K153 HydrophobicContact CG-CG 3.85Å; P150-K153 WeakPolarHBondContact O-CB 3.33Å; P150-K153 PolarHBondContact O-N 2.96Å; P150-V154 PolarHBondContact O-N 2.86Å
151	V	82.4	Confident	75.9	Confident	76 Å²	76	80.1 Å²	80.1	46%	0.461	45%	0.449	S	S	.	.	H	α-helix	trans	-49.5	-34.6	-179.6	173	0	0	0	0	111.9	I136 A140 Q149 K153 V154 K155	I136-V151 HydrophobicContact CG2-CG1 3.91Å; A140-V151 HydrophobicContact CB-CG2 4.05Å; Q149-V151 PolarHBondContact O-N 3.39Å; V151-K153 PolarHBondContact O-N 3.26Å; V151-V154 PolarHBondContact O-N 2.71Å; V151-K155 WeakPolarHBondContact O-CB 3.48Å; V151-K155 PolarHBondContact O-N 3.14Å
152	S	84.4	Confident	76.1	Confident	82 Å²	82	76.3 Å²	76.3	57%	0.573	42%	0.417	S	S	*	.	H	α-helix	trans	-59.1	-41.4	176	58	0	0	0	0	113.5	P150 K155 Q156	P150-S152 PolarHBondContact O-N 2.74Å; S152-K155 PolarHBondContact O-N 2.98Å; S152-Q156 WeakPolarHBondContact O-CB 3.17Å; S152-Q156 PolarHBondContact O-N 3.41Å
153	K	85.8	Confident	76.7	Confident	121 Å²	121	75.9 Å²	75.9	53%	0.526	42%	0.415	S	S	.	.	H	α-helix	trans	-67.1	-39.8	176.7	-76.2	-176.2	-175.6	178.4	0	111.4	P150 V151 Q156 K157	P150-K153 HydrophobicContact CG-CB 4.25Å; P150-K153 HydrophobicContact CG-CD 3.76Å; P150-K153 HydrophobicContact CG-CG 3.85Å; P150-K153 WeakPolarHBondContact O-CB 3.33Å; P150-K153 PolarHBondContact O-N 2.96Å; V151-K153 PolarHBondContact O-N 3.26Å; K153-Q156 PolarHBondContact O-N 3.06Å; K153-K157 WeakPolarHBondContact O-CG 3.47Å; K153-K157 PolarHBondContact O-N 3.03Å
154	V	84.9	Confident	77.6	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.012	43%	0.429	C	S	.	.	H	α-helix	trans	-68.7	-40.1	177.2	-174.9	0	0	0	0	110.8	I136 V139 A140 Q149 P150 V151 Q156 K157 A158 L280	I136-V154 HydrophobicContact CB-CG1 4.39Å; I136-V154 HydrophobicContact CG1-CG1 4.41Å; I136-V154 HydrophobicContact CG2-CB 4.03Å; I136-V154 HydrophobicContact CG2-CG1 3.88Å; V139-V154 HydrophobicContact CB-CG1 4.44Å; V139-V154 HydrophobicContact CG1-CG1 4.18Å; A140-V154 HydrophobicContact CB-CG2 4.1Å; Q149-V154 HydrophobicContact CB-CG2 4.26Å; P150-V154 PolarHBondContact O-N 2.86Å; V151-V154 PolarHBondContact O-N 2.71Å; V154-Q156 VanDerWaalsContact C-N 3.33Å; V154-Q156 PolarHBondContact O-N 3.34Å; V154-K157 WeakPolarHBondContact O-CB 3.23Å; V154-K157 PolarHBondContact O-N 2.81Å; V154-A158 WeakPolarHBondContact O-CB 3.24Å; V154-A158 PolarHBondContact O-N 3.45Å; V154-L280 HydrophobicContact CG1-CD2 4.37Å
155	K	87.8	Confident	79	Confident	81 Å²	81	72 Å²	72	35%	0.352	39%	0.394	S	S	.	.	H	α-helix	trans	-62.1	-38.8	173	-169.7	167.8	-175.1	164.1	0	112	I136 V151 S152 A158 R159	I136-K155 HydrophobicContact CD1-CB 4.45Å; I136-K155 HydrophobicContact CD1-CG 4.44Å; V151-K155 WeakPolarHBondContact O-CB 3.48Å; V151-K155 PolarHBondContact O-N 3.14Å; S152-K155 PolarHBondContact O-N 2.98Å; K155-A158 PolarHBondContact O-N 2.81Å; K155-R159 PolarHBondContact O-N 2.77Å
156	Q	88.2	Confident	80.4	Confident	141 Å²	141	71 Å²	71	66%	0.659	38%	0.383	S	S	*	.	H	α-helix	trans	-66.4	-42.2	174.6	-168.9	177.5	11.3	0	0	112.1	S152 K153 V154 R159 A160	S152-Q156 WeakPolarHBondContact O-CB 3.17Å; S152-Q156 PolarHBondContact O-N 3.41Å; K153-Q156 PolarHBondContact O-N 3.06Å; V154-Q156 VanDerWaalsContact C-N 3.33Å; V154-Q156 PolarHBondContact O-N 3.34Å; Q156-R159 PolarHBondContact O-N 3.3Å; Q156-A160 PolarHBondContact O-N 3.06Å
157	K	86.6	Confident	82	Confident	105 Å²	105	64.5 Å²	64.5	46%	0.457	34%	0.342	S	S	.	.	H	α-helix	trans	-59.1	-45.9	171.7	-72.4	173.8	179.6	178	0	111.3	K153 V154 R159 A160 V161	K153-K157 WeakPolarHBondContact O-CG 3.47Å; K153-K157 PolarHBondContact O-N 3.03Å; V154-K157 WeakPolarHBondContact O-CB 3.23Å; V154-K157 PolarHBondContact O-N 2.81Å; K157-R159 VanDerWaalsContact C-N 3.33Å; K157-R159 PolarHBondContact O-N 3.14Å; K157-A160 PolarHBondContact O-N 3.36Å; K157-V161 WeakPolarHBondContact O-CG2 3.46Å; K157-V161 PolarHBondContact O-N 2.76Å
158	A	87.9	Confident	83.2	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.5	-42.9	176.9	0	0	0	0	0	111.7	L127 I136 V154 K155 V161 L162 L280 L284	L127-A158 HydrophobicContact CD2-CB 4Å; I136-A158 HydrophobicContact CD1-CB 4.16Å; I136-A158 HydrophobicContact CG1-CB 4.49Å; V154-A158 WeakPolarHBondContact O-CB 3.24Å; V154-A158 PolarHBondContact O-N 3.45Å; K155-A158 PolarHBondContact O-N 2.81Å; A158-V161 PolarHBondContact O-N 3.23Å; A158-L162 VanDerWaalsContact O-CB 3.25Å; A158-L162 WeakPolarHBondContact O-CB 3.24Å; A158-L162 PolarHBondContact O-N 3.36Å; A158-L280 HydrophobicContact CB-CD1 4.23Å; A158-L280 HydrophobicContact CB-CD2 4.37Å; A158-L284 HydrophobicContact CB-CD1 4.11Å; A158-L284 HydrophobicContact CB-CD2 4.36Å
159	R	91.6	Very high	84.4	Confident	99 Å²	99	60.7 Å²	60.7	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-62.9	-42.5	175.4	-171	171.8	-172.9	97	-3.3	112.2	D124 L127 K155 Q156 K157 L162 Q163	D124-R159 IonicContact OD1-CZ 2.79Å; D124-R159 IonicContact OD1-NH1 3.6Å; D124-R159 PolarHBondContact OD1-NH1 2.86Å; D124-R159 IonicContact OD1-NH2 3.9Å; L127-R159 HydrophobicContact CD1-CB 3.96Å; L127-R159 HydrophobicContact CD1-CG 3.95Å; K155-R159 PolarHBondContact O-N 2.77Å; Q156-R159 PolarHBondContact O-N 3.3Å; K157-R159 VanDerWaalsContact C-N 3.33Å; K157-R159 PolarHBondContact O-N 3.14Å; R159-L162 PolarHBondContact O-N 2.8Å; R159-Q163 WeakPolarHBondContact O-CB 3.25Å; R159-Q163 VanDerWaalsContact O-CG 3.27Å; R159-Q163 WeakPolarHBondContact O-CG 3.29Å; R159-Q163 PolarHBondContact O-N 3.45Å
160	A	88.1	Confident	85.3	Confident	47 Å²	47	59.3 Å²	59.3	39%	0.388	31%	0.308	S	S	.	.	H	α-helix	trans	-63.1	-48.4	177.4	0	0	0	0	0	111.6	Q156 K157 L162 Q163 E164	Q156-A160 PolarHBondContact O-N 3.06Å; K157-A160 PolarHBondContact O-N 3.36Å; A160-L162 VanDerWaalsContact C-N 3.3Å; A160-L162 PolarHBondContact O-N 2.94Å; A160-Q163 PolarHBondContact O-N 3.15Å; A160-E164 PolarHBondContact O-N 3.22Å
161	V	85.8	Confident	85.5	Confident	25 Å²	25	57.5 Å²	57.5	15%	0.152	30%	0.296	C	S	.	.	H	α-helix	trans	-58.9	-43.2	175.6	172.2	0	0	0	0	110.9	K157 A158 E164 M165 Y281 L284	K157-V161 WeakPolarHBondContact O-CG2 3.46Å; K157-V161 PolarHBondContact O-N 2.76Å; A158-V161 PolarHBondContact O-N 3.23Å; V161-E164 WeakPolarHBondContact O-CB 3.16Å; V161-E164 PolarHBondContact O-N 3.27Å; V161-M165 HydrophobicContact CG1-SD 3.94Å; V161-M165 VanDerWaalsContact O-CG 3.3Å; V161-M165 WeakPolarHBondContact O-CG 3.37Å; V161-M165 PolarHBondContact O-N 3.25Å; V161-M165 VanDerWaalsContact O-N 3.09Å; V161-Y281 HydrophobicContact CG1-CD2 3.83Å; V161-Y281 HydrophobicContact CG1-CE2 4.42Å; V161-L284 HydrophobicContact CB-CD1 4.2Å; V161-L284 HydrophobicContact CG1-CD1 3.98Å
162	L	86.8	Confident	85.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.3	-39.5	179.3	-170.9	60.4	0	0	0	111.9	V123 V126 L127 A158 R159 A160 E164 M165 V166 Y288	V123-L162 HydrophobicContact CB-CD2 4.36Å; V123-L162 HydrophobicContact CG1-CD2 4.04Å; V126-L162 HydrophobicContact CB-CD2 3.86Å; V126-L162 HydrophobicContact CG1-CD1 4.19Å; V126-L162 HydrophobicContact CG1-CD2 3.73Å; L127-L162 HydrophobicContact CD2-CD2 4.41Å; L127-L162 HydrophobicContact CG-CD2 4.07Å; A158-L162 VanDerWaalsContact O-CB 3.25Å; A158-L162 WeakPolarHBondContact O-CB 3.24Å; A158-L162 PolarHBondContact O-N 3.36Å; R159-L162 PolarHBondContact O-N 2.8Å; A160-L162 VanDerWaalsContact C-N 3.3Å; A160-L162 PolarHBondContact O-N 2.94Å; L162-E164 VanDerWaalsContact C-N 3.27Å; L162-E164 PolarHBondContact O-N 3.14Å; L162-M165 PolarHBondContact O-N 3.47Å; L162-V166 HydrophobicContact CD1-CG2 3.64Å; L162-V166 HydrophobicContact CG-CG2 3.75Å; L162-V166 WeakPolarHBondContact O-CB 3.37Å; L162-V166 WeakPolarHBondContact O-CG2 3.5Å; L162-V166 PolarHBondContact O-N 3.16Å; L162-Y288 HydrophobicContact CD1-CD2 4.35Å
163	Q	86.4	Confident	85.8	Confident	113 Å²	113	56.9 Å²	56.9	53%	0.528	29%	0.286	S	S	.	.	H	α-helix	trans	-63	-33.5	173.6	-75.9	175.6	-18.3	0	0	112.4	R159 A160 M165	R159-Q163 WeakPolarHBondContact O-CB 3.25Å; R159-Q163 VanDerWaalsContact O-CG 3.27Å; R159-Q163 WeakPolarHBondContact O-CG 3.29Å; R159-Q163 PolarHBondContact O-N 3.45Å; A160-Q163 PolarHBondContact O-N 3.15Å; Q163-M165 VanDerWaalsContact C-N 3.28Å
164	E	82.3	Confident	85.8	Confident	111 Å²	111	51.8 Å²	51.8	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-71.1	-20.2	170.3	-71.7	-179.3	173.6	0	0	113.2	A160 V161 L162 R258 R266	A160-E164 PolarHBondContact O-N 3.22Å; V161-E164 WeakPolarHBondContact O-CB 3.16Å; V161-E164 PolarHBondContact O-N 3.27Å; L162-E164 VanDerWaalsContact C-N 3.27Å; L162-E164 PolarHBondContact O-N 3.14Å; E164-R258 VanDerWaalsContact C-NH1 3.29Å; E164-R258 PolarHBondContact O-NH1 2.97Å; E164-R258 PolarHBondContact O-NH2 2.9Å; E164-R266 IonicContact OE2-NH2 3.89Å
165	M	82.9	Confident	86	Confident	4 Å²	4	55 Å²	55	2%	0.02	28%	0.276	C	S	.	.	H	α-helix	trans	-92.5	-48.3	-180	-70.5	171.1	63.5	0	0	111.9	V161 L162 Q163 R258 F263 F264 Y281 L285	V161-M165 HydrophobicContact CG1-SD 3.94Å; V161-M165 VanDerWaalsContact O-CG 3.3Å; V161-M165 WeakPolarHBondContact O-CG 3.37Å; V161-M165 PolarHBondContact O-N 3.25Å; V161-M165 VanDerWaalsContact O-N 3.09Å; L162-M165 PolarHBondContact O-N 3.47Å; Q163-M165 VanDerWaalsContact C-N 3.28Å; M165-R258 PolarHBondContact O-NH1 3.09Å; M165-F263 WeakPolarHBondContact O-CA 3.14Å; M165-F263 WeakPolarHBondContact O-CB 3.49Å; M165-F264 PolarHBondContact O-N 2.91Å; M165-F264 VanDerWaalsContact O-N 3.1Å; M165-Y281 HydrophobicContact CE-CE2 3.93Å; M165-Y281 HydrophobicContact CG-CE2 4.1Å; M165-Y281 HydrophobicContact SD-CD2 3.86Å; M165-Y281 HydrophobicContact SD-CE2 3.35Å; M165-Y281 WeakPolarHBondContact SD-CE2 3.44Å; M165-L285 HydrophobicContact CE-CB 3.8Å; M165-L285 HydrophobicContact CE-CD1 3.62Å; M165-L285 HydrophobicContact CE-CG 4.29Å
166	V	85.5	Confident	86.1	Confident	21 Å²	21	55.6 Å²	55.6	13%	0.127	28%	0.283	C	S	.	.			trans	-60.9	142	-164.4	169.5	0	0	0	0	113	V123 L162 R258 Y288	V123-V166 HydrophobicContact CG2-CB 4.41Å; V123-V166 HydrophobicContact CG2-CG1 4.15Å; V123-V166 HydrophobicContact CG2-CG2 4.03Å; L162-V166 HydrophobicContact CD1-CG2 3.64Å; L162-V166 HydrophobicContact CG-CG2 3.75Å; L162-V166 WeakPolarHBondContact O-CB 3.37Å; L162-V166 WeakPolarHBondContact O-CG2 3.5Å; L162-V166 PolarHBondContact O-N 3.16Å; V166-R258 PolarHBondContact O-NH1 3.4Å; V166-R258 VanDerWaalsContact O-NH1 3.1Å; V166-Y288 HydrophobicContact CB-CE2 4.29Å; V166-Y288 HydrophobicContact CG1-CE2 4.33Å; V166-Y288 HydrophobicContact CG2-CD2 3.91Å; V166-Y288 HydrophobicContact CG2-CE2 3.61Å
167	A	83.7	Confident	86.1	Confident	7 Å²	7	49.7 Å²	49.7	6%	0.058	26%	0.257	C	S	.	.			trans	-77.1	142.5	169.1	0	0	0	0	0	110.7	V169 Y288	A167-V169 HydrophobicContact CB-CG2 4.39Å; A167-Y288 PolarHBondContact N-OH 3.46Å
168	N	82.8	Confident	86.2	Confident	98 Å²	98	45 Å²	45	52%	0.524	24%	0.237	S	C	.	.			trans	-123.6	77.9	178.7	179.1	-2.8	0	0	0	109	R258 K259	N168-R258 CarbonylContact C-O 3.35Å; N168-R258 PolarHBondContact N-O 2.87Å; N168-K259 VanDerWaalsContact CG-NZ 3.32Å; N168-K259 PolarHBondContact ND2-NZ 3.16Å; N168-K259 WeakPolarHBondContact O-CA 3.19Å; N168-K259 WeakPolarHBondContact O-CD 3.41Å; N168-K259 PolarHBondContact OD1-NZ 2.88Å
169	V	83.1	Confident	86.4	Confident	26 Å²	26	48.2 Å²	48.2	16%	0.158	25%	0.25	C	C	.	.			trans	-69.7	134.5	-167.1	-166.9	0	0	0	0	112.1	F118 A167 I174 K259	F118-V169 HydrophobicContact CB-CB 4.39Å; F118-V169 HydrophobicContact CD1-CB 3.64Å; F118-V169 HydrophobicContact CD1-CG1 3.29Å; F118-V169 HydrophobicContact CD1-CG2 4Å; F118-V169 HydrophobicContact CD2-CG1 4.37Å; F118-V169 HydrophobicContact CE1-CB 4.11Å; F118-V169 HydrophobicContact CE1-CG1 3.23Å; F118-V169 HydrophobicContact CE2-CG1 4.32Å; F118-V169 HydrophobicContact CG-CB 3.96Å; F118-V169 HydrophobicContact CG-CG1 3.89Å; F118-V169 HydrophobicContact CZ-CG1 3.77Å; A167-V169 HydrophobicContact CB-CG2 4.39Å; V169-I174 HydrophobicContact CG1-CD1 3.38Å; V169-I174 HydrophobicContact CG1-CG1 4.3Å; V169-K259 WeakPolarHBondContact CA-O 3.34Å
170	S	84.3	Confident	86.4	Confident	27 Å²	27	46.1 Å²	46.1	19%	0.189	25%	0.248	C	C	.	.			trans	-124.6	111.9	179.9	178	0	0	0	0	110.9	P172 F173 I174 K259	S170-P172 WeakPolarHBondContact OG-CD 3.2Å; S170-P172 WeakPolarHBondContact OG-CG 3.37Å; S170-F173 WeakPolarHBondContact O-CB 3.15Å; S170-F173 PolarHBondContact O-N 3.17Å; S170-I174 PolarHBondContact O-N 3.49Å; S170-K259 PolarHBondContact N-O 2.87Å
171	P	84.9	Confident	86.5	Confident	21 Å²	21	44.7 Å²	44.7	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-51.8	-47.8	177.5	-25.6	31.8	0	0	0	115.8	V113 K115 F118 F173 I174 R175	V113-P171 HydrophobicContact CG1-CB 3.78Å; V113-P171 HydrophobicContact CG1-CG 4.45Å; K115-P171 HydrophobicContact CG-CG 4.3Å; F118-P171 HydrophobicContact CD2-CG 4.23Å; F118-P171 HydrophobicContact CE2-CG 3.83Å; P171-F173 PolarHBondContact O-N 2.85Å; P171-I174 PolarHBondContact O-N 3.33Å; P171-R175 PolarHBondContact O-N 3.41Å; P171-R175 VanDerWaalsContact O-N 3.14Å
172	P	85.9	Confident	86.8	Confident	90 Å²	90	43.5 Å²	43.5	58%	0.584	23%	0.226	S	C	*	.	H	α-helix	trans	-65.4	-31	178.4	25.8	-34.6	0	0	0	111.9	S170 R175 L176	S170-P172 WeakPolarHBondContact OG-CD 3.2Å; S170-P172 WeakPolarHBondContact OG-CG 3.37Å; P172-R175 PolarHBondContact O-N 2.82Å; P172-L176 WeakPolarHBondContact O-CB 3.34Å; P172-L176 PolarHBondContact O-N 3.13Å
173	F	85.8	Confident	87	Confident	56 Å²	56	49.4 Å²	49.4	25%	0.246	25%	0.249	C	C	.	.	H	α-helix	trans	-72.2	-40.9	178.2	-158.7	-94.6	0	0	0	111.6	S170 P171 R175 L176 T177 V256 K259 L260	S170-F173 WeakPolarHBondContact O-CB 3.15Å; S170-F173 PolarHBondContact O-N 3.17Å; P171-F173 PolarHBondContact O-N 2.85Å; F173-R175 VanDerWaalsContact C-N 3.31Å; F173-R175 PolarHBondContact O-N 2.96Å; F173-L176 PolarHBondContact O-N 3.02Å; F173-T177 WeakPolarHBondContact O-CB 3.34Å; F173-T177 PolarHBondContact O-N 3.41Å; F173-T177 PolarHBondContact O-OG1 3.2Å; F173-V256 HydrophobicContact CE1-CB 3.99Å; F173-V256 HydrophobicContact CE1-CG1 3.82Å; F173-V256 HydrophobicContact CE1-CG2 4.11Å; F173-V256 HydrophobicContact CZ-CB 4.09Å; F173-V256 HydrophobicContact CZ-CG1 4.21Å; F173-V256 HydrophobicContact CZ-CG2 3.68Å; F173-K259 HydrophobicContact CB-CB 4.19Å; F173-K259 HydrophobicContact CD1-CB 3.32Å; F173-K259 HydrophobicContact CD1-CG 4.15Å; F173-K259 HydrophobicContact CE1-CB 3.75Å; F173-K259 HydrophobicContact CE1-CG 4.42Å; F173-K259 HydrophobicContact CG-CB 3.78Å; F173-K259 HydrophobicContact CG-CG 4.23Å; F173-L260 HydrophobicContact CD1-CD2 4.11Å; F173-L260 HydrophobicContact CD1-CG 4.35Å; F173-L260 HydrophobicContact CE1-CG 4.44Å
174	I	86.2	Confident	87.1	Confident	13 Å²	13	46.3 Å²	46.3	7%	0.067	24%	0.235	C	C	.	.	H	α-helix	trans	-55.7	-47.9	171.9	-71.1	168.6	0	0	0	110.5	V113 F118 V169 S170 P171 T177 G178 F233 L260	V113-I174 HydrophobicContact CG1-CD1 4.44Å; F118-I174 HydrophobicContact CE1-CD1 3.68Å; F118-I174 HydrophobicContact CE2-CD1 4.39Å; F118-I174 HydrophobicContact CZ-CD1 3.4Å; V169-I174 HydrophobicContact CG1-CD1 3.38Å; V169-I174 HydrophobicContact CG1-CG1 4.3Å; S170-I174 PolarHBondContact O-N 3.49Å; P171-I174 PolarHBondContact O-N 3.33Å; I174-T177 PolarHBondContact O-N 3.05Å; I174-G178 PolarHBondContact O-N 3.27Å; I174-F233 HydrophobicContact CG2-CD2 3.75Å; I174-F233 HydrophobicContact CG2-CE2 3.82Å; I174-L260 HydrophobicContact CG1-CD2 4.04Å
175	R	89.4	Confident	87.5	Confident	69 Å²	69	41.2 Å²	41.2	26%	0.26	21%	0.212	S	C	.	.	H	α-helix	trans	-60.9	-50.4	177.7	-73.3	-172.7	176.6	108.6	4.2	111.4	V108 R111 V113 P171 P172 F173 T177 G178 W179 F233	V108-R175 HydrophobicContact CG1-CB 3.72Å; V108-R175 HydrophobicContact CG1-CG 4.16Å; V108-R175 WeakPolarHBondContact CG1-O 3.16Å; R111-R175 PolarHBondContact O-NH2 2.89Å; V113-R175 HydrophobicContact CG2-CG 4.38Å; V113-R175 PolarHBondContact O-NH2 3.36Å; P171-R175 PolarHBondContact O-N 3.41Å; P171-R175 VanDerWaalsContact O-N 3.14Å; P172-R175 PolarHBondContact O-N 2.82Å; F173-R175 VanDerWaalsContact C-N 3.31Å; F173-R175 PolarHBondContact O-N 2.96Å; R175-T177 VanDerWaalsContact C-N 3.35Å; R175-T177 PolarHBondContact O-N 2.84Å; R175-G178 PolarHBondContact O-N 2.95Å; R175-W179 PolarHBondContact O-N 3.03Å; R175-F233 HydrophobicContact CG-CZ 4.49Å
176	L	90.5	Very high	87.8	Confident	94 Å²	94	44.5 Å²	44.5	49%	0.492	23%	0.229	S	C	.	.	H	α-helix	trans	-56.5	-48.9	178.2	178.3	63.4	0	0	0	111.5	P172 F173 W179 V180	P172-L176 WeakPolarHBondContact O-CB 3.34Å; P172-L176 PolarHBondContact O-N 3.13Å; F173-L176 PolarHBondContact O-N 3.02Å; L176-W179 HydrophobicContact CD1-CE3 4.15Å; L176-W179 HydrophobicContact CD1-CZ3 4.37Å; L176-W179 PolarHBondContact O-N 3.34Å; L176-V180 WeakPolarHBondContact O-CG2 3.4Å; L176-V180 PolarHBondContact O-N 3.05Å
177	T	87.7	Confident	87.9	Confident	18 Å²	18	45.5 Å²	45.5	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-66.2	-40.1	179.6	-55.6	0	0	0	0	111.9	F173 I174 R175 W179 V180 L181 L260	F173-T177 WeakPolarHBondContact O-CB 3.34Å; F173-T177 PolarHBondContact O-N 3.41Å; F173-T177 PolarHBondContact O-OG1 3.2Å; I174-T177 PolarHBondContact O-N 3.05Å; R175-T177 VanDerWaalsContact C-N 3.35Å; R175-T177 PolarHBondContact O-N 2.84Å; T177-W179 VanDerWaalsContact C-N 3.31Å; T177-W179 PolarHBondContact O-N 2.94Å; T177-V180 PolarHBondContact O-N 2.92Å; T177-L181 HydrophobicContact CG2-CD1 3.8Å; T177-L181 HydrophobicContact CG2-CG 3.96Å; T177-L181 WeakPolarHBondContact O-CB 3.35Å; T177-L181 VanDerWaalsContact O-CG 3.27Å; T177-L181 WeakPolarHBondContact O-CG 3.45Å; T177-L181 PolarHBondContact O-N 2.79Å; T177-L260 HydrophobicContact CG2-CD1 3.71Å; T177-L260 HydrophobicContact CG2-CD2 3.98Å; T177-L260 HydrophobicContact CG2-CG 4.45Å
178	G	89.6	Confident	88.1	Confident	5 Å²	5	45.5 Å²	45.5	5%	0.052	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-45	174	0	0	0	0	0	112.1	I174 R175 L181 L182	I174-G178 PolarHBondContact O-N 3.27Å; R175-G178 PolarHBondContact O-N 2.95Å; G178-L181 PolarHBondContact O-N 2.96Å; G178-L182 WeakPolarHBondContact O-CB 3.28Å; G178-L182 WeakPolarHBondContact O-CD1 3.48Å; G178-L182 VanDerWaalsContact O-CG 3.25Å; G178-L182 WeakPolarHBondContact O-CG 3.46Å; G178-L182 PolarHBondContact O-N 3.37Å
179	W	91.9	Very high	88.5	Confident	69 Å²	69	41.1 Å²	41.1	26%	0.261	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-44.7	174.5	171.5	83.7	0	0	0	113.1	V105 V108 R175 L176 T177 R183	V105-W179 VanDerWaalsContact CG2-NE1 3.33Å; V108-W179 HydrophobicContact CB-CB 4.45Å; V108-W179 HydrophobicContact CG1-CB 4.23Å; V108-W179 HydrophobicContact CG2-CB 4.02Å; R175-W179 PolarHBondContact O-N 3.03Å; L176-W179 HydrophobicContact CD1-CE3 4.15Å; L176-W179 HydrophobicContact CD1-CZ3 4.37Å; L176-W179 PolarHBondContact O-N 3.34Å; T177-W179 VanDerWaalsContact C-N 3.31Å; T177-W179 PolarHBondContact O-N 2.94Å; W179-R183 PolarHBondContact O-N 3.37Å; W179-R183 VanDerWaalsContact O-N 3.16Å
180	V	91.1	Very high	88.8	Confident	54 Å²	54	47.5 Å²	47.5	33%	0.327	24%	0.24	S	C	.	.	H	α-helix	trans	-60.7	-49	176.6	171.1	0	0	0	0	110.4	L176 T177 L182 R183 L184	L176-V180 WeakPolarHBondContact O-CG2 3.4Å; L176-V180 PolarHBondContact O-N 3.05Å; T177-V180 PolarHBondContact O-N 2.92Å; V180-L182 PolarHBondContact O-N 2.9Å; V180-R183 PolarHBondContact O-N 3.23Å; V180-L184 HydrophobicContact CG1-CD1 3.6Å; V180-L184 HydrophobicContact CG1-CG 3.99Å; V180-L184 WeakPolarHBondContact O-CB 3.33Å; V180-L184 VanDerWaalsContact O-CG 3.31Å; V180-L184 WeakPolarHBondContact O-CG 3.43Å; V180-L184 PolarHBondContact O-N 2.96Å
181	L	90.7	Very high	89.1	Confident	18 Å²	18	46.5 Å²	46.5	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-42.7	-177.9	-70	175.6	0	0	0	111.8	T177 G178 R183 L184 F185 L226 L230	T177-L181 HydrophobicContact CG2-CD1 3.8Å; T177-L181 HydrophobicContact CG2-CG 3.96Å; T177-L181 WeakPolarHBondContact O-CB 3.35Å; T177-L181 VanDerWaalsContact O-CG 3.27Å; T177-L181 WeakPolarHBondContact O-CG 3.45Å; T177-L181 PolarHBondContact O-N 2.79Å; G178-L181 PolarHBondContact O-N 2.96Å; L181-R183 VanDerWaalsContact C-N 3.3Å; L181-R183 PolarHBondContact O-N 3.4Å; L181-L184 PolarHBondContact O-N 3.24Å; L181-F185 HydrophobicContact CB-CE2 4.46Å; L181-F185 HydrophobicContact CD2-CE1 4.13Å; L181-F185 HydrophobicContact CD2-CZ 4.04Å; L181-F185 VanDerWaalsContact O-CB 3.24Å; L181-F185 WeakPolarHBondContact O-CB 3.41Å; L181-F185 WeakPolarHBondContact O-CG 3.41Å; L181-F185 PolarHBondContact O-N 3.47Å; L181-L226 HydrophobicContact CD1-CB 4.28Å; L181-L226 HydrophobicContact CD2-CD1 4.04Å; L181-L230 HydrophobicContact CB-CD1 4.17Å; L181-L230 HydrophobicContact CB-CD2 4.03Å
182	L	91.9	Very high	89.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.2	-43.1	175.1	-76.3	165.3	0	0	0	112	I85 I87 Y104 F107 V108 G178 V180 N186 L230	I85-L182 HydrophobicContact CG2-CD2 4.37Å; I87-L182 HydrophobicContact CD1-CD1 3.54Å; I87-L182 HydrophobicContact CD1-CD2 3.76Å; I87-L182 HydrophobicContact CD1-CG 4.18Å; Y104-L182 HydrophobicContact CD1-CB 3.66Å; Y104-L182 HydrophobicContact CD1-CD1 4.25Å; Y104-L182 HydrophobicContact CD1-CG 4.45Å; Y104-L182 HydrophobicContact CE1-CB 3.84Å; F107-L182 HydrophobicContact CD1-CD1 4.22Å; F107-L182 HydrophobicContact CE1-CD1 4.4Å; V108-L182 HydrophobicContact CG2-CD1 3.79Å; G178-L182 WeakPolarHBondContact O-CB 3.28Å; G178-L182 WeakPolarHBondContact O-CD1 3.48Å; G178-L182 VanDerWaalsContact O-CG 3.25Å; G178-L182 WeakPolarHBondContact O-CG 3.46Å; G178-L182 PolarHBondContact O-N 3.37Å; V180-L182 PolarHBondContact O-N 2.9Å; L182-N186 WeakPolarHBondContact O-CB 3.38Å; L182-N186 PolarHBondContact O-N 3.4Å; L182-L230 HydrophobicContact CD2-CD1 4.41Å; L182-L230 HydrophobicContact CD2-CD2 4.3Å; L182-L230 HydrophobicContact CG-CD1 4.08Å
183	R	89.8	Confident	90	Very high	124 Å²	124	42.8 Å²	42.8	47%	0.468	21%	0.207	S	C	.	.	H	α-helix	trans	-68.3	-44.6	176.5	-77.3	-171.4	168.2	-171.9	0.9	112.8	W179 V180 L181 G187	W179-R183 PolarHBondContact O-N 3.37Å; W179-R183 VanDerWaalsContact O-N 3.16Å; V180-R183 PolarHBondContact O-N 3.23Å; L181-R183 VanDerWaalsContact C-N 3.3Å; L181-R183 PolarHBondContact O-N 3.4Å; R183-G187 PolarHBondContact O-N 3.44Å; R183-G187 VanDerWaalsContact O-N 3.08Å
184	L	88.8	Confident	90.4	Very high	47 Å²	47	40.2 Å²	40.2	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-50.3	179.5	-73.2	179.9	0	0	0	110.4	V180 L181 N186 G187 F188 V374 L378	V180-L184 HydrophobicContact CG1-CD1 3.6Å; V180-L184 HydrophobicContact CG1-CG 3.99Å; V180-L184 WeakPolarHBondContact O-CB 3.33Å; V180-L184 VanDerWaalsContact O-CG 3.31Å; V180-L184 WeakPolarHBondContact O-CG 3.43Å; V180-L184 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 3.24Å; L184-N186 PolarHBondContact O-N 3.34Å; L184-G187 WeakPolarHBondContact O-CA 3.35Å; L184-G187 PolarHBondContact O-N 3.41Å; L184-F188 HydrophobicContact CB-CE1 4.1Å; L184-F188 WeakPolarHBondContact O-CD1 3.15Å; L184-F188 VanDerWaalsContact O-CE1 3.22Å; L184-F188 WeakPolarHBondContact O-CE1 3.35Å; L184-F188 PolarHBondContact O-N 3.37Å; L184-V374 HydrophobicContact CD2-CG1 4.2Å; L184-L378 HydrophobicContact CD2-CD1 4.15Å; L184-L378 HydrophobicContact CD2-CD2 4.09Å; L184-L378 HydrophobicContact CD2-CG 4.5Å
185	F	91.1	Very high	90.7	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.022	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-40.6	-178.9	-68.7	-3.4	0	0	0	111.7	I85 L181 G187 F188 F189 I192 I223 L226 L227 L230	I85-F185 HydrophobicContact CG2-CB 3.81Å; I85-F185 HydrophobicContact CG2-CD2 4.47Å; L181-F185 HydrophobicContact CB-CE2 4.46Å; L181-F185 HydrophobicContact CD2-CE1 4.13Å; L181-F185 HydrophobicContact CD2-CZ 4.04Å; L181-F185 VanDerWaalsContact O-CB 3.24Å; L181-F185 WeakPolarHBondContact O-CB 3.41Å; L181-F185 WeakPolarHBondContact O-CG 3.41Å; L181-F185 PolarHBondContact O-N 3.47Å; F185-G187 PolarHBondContact O-N 3.05Å; F185-F188 AromaticContact CD1-CE1 3.92Å; F185-F188 HydrophobicContact CD1-CE1 3.92Å; F185-F188 HydrophobicContact CD1-CE2 4.16Å; F185-F188 AromaticContact CD1-CZ 3.37Å; F185-F188 HydrophobicContact CD1-CZ 3.37Å; F185-F188 AromaticContact CE1-CZ 3.84Å; F185-F188 HydrophobicContact CE1-CZ 3.84Å; F185-F188 HydrophobicContact CG-CZ 4.43Å; F185-F188 PolarHBondContact O-N 3.16Å; F185-F189 HydrophobicContact CB-CD2 4.16Å; F185-F189 HydrophobicContact CD1-CD2 4.47Å; F185-F189 HydrophobicContact CD1-CE2 4.45Å; F185-F189 HydrophobicContact CG-CD2 4.3Å; F185-F189 WeakPolarHBondContact O-CA 3.34Å; F185-F189 WeakPolarHBondContact O-CB 3.31Å; F185-F189 PolarHBondContact O-N 3.49Å; F185-I192 HydrophobicContact CB-CD1 4.04Å; F185-I192 HydrophobicContact CD2-CD1 3.57Å; F185-I192 HydrophobicContact CE2-CD1 4.35Å; F185-I192 HydrophobicContact CG-CD1 4.1Å; F185-I223 HydrophobicContact CE1-CG2 3.98Å; F185-I223 HydrophobicContact CZ-CG2 3.7Å; F185-L226 HydrophobicContact CZ-CB 4.26Å; F185-L227 HydrophobicContact CE2-CD1 4.2Å; F185-L230 HydrophobicContact CD2-CD2 3.43Å; F185-L230 VanDerWaalsContact CD2-CD2 3.43Å; F185-L230 HydrophobicContact CE2-CD2 3.48Å; F185-L230 VanDerWaalsContact CE2-CD2 3.48Å
186	N	89.6	Confident	90.8	Very high	72 Å²	72	41.3 Å²	41.3	39%	0.385	20%	0.201	S	C	.	.	H	α-helix	trans	-66.2	-16	172.1	-165.3	72.7	0	0	0	113.7	I85 L182 L184	I85-N186 HydrophobicContact CB-CB 4.45Å; I85-N186 HydrophobicContact CD1-CB 4.47Å; L182-N186 WeakPolarHBondContact O-CB 3.38Å; L182-N186 PolarHBondContact O-N 3.4Å; L184-N186 PolarHBondContact O-N 3.34Å
187	G	86.9	Confident	90.8	Very high	43 Å²	43	36.8 Å²	36.8	44%	0.443	18%	0.178	S	C	.	.	H	α-helix	trans	-83	-26.3	176.1	0	0	0	0	0	114.6	R183 L184 F185	R183-G187 PolarHBondContact O-N 3.44Å; R183-G187 VanDerWaalsContact O-N 3.08Å; L184-G187 WeakPolarHBondContact O-CA 3.35Å; L184-G187 PolarHBondContact O-N 3.41Å; F185-G187 PolarHBondContact O-N 3.05Å
188	F	88.3	Confident	91.1	Very high	7 Å²	7	36 Å²	36	3%	0.031	17%	0.173	C	C	.	.	H	α-helix	trans	-130.7	-15.8	-174.9	65.7	-108.4	0	0	0	115.6	L184 F185 I349 M377 L378 Y382	L184-F188 HydrophobicContact CB-CE1 4.1Å; L184-F188 WeakPolarHBondContact O-CD1 3.15Å; L184-F188 VanDerWaalsContact O-CE1 3.22Å; L184-F188 WeakPolarHBondContact O-CE1 3.35Å; L184-F188 PolarHBondContact O-N 3.37Å; F185-F188 AromaticContact CD1-CE1 3.92Å; F185-F188 HydrophobicContact CD1-CE1 3.92Å; F185-F188 HydrophobicContact CD1-CE2 4.16Å; F185-F188 AromaticContact CD1-CZ 3.37Å; F185-F188 HydrophobicContact CD1-CZ 3.37Å; F185-F188 AromaticContact CE1-CZ 3.84Å; F185-F188 HydrophobicContact CE1-CZ 3.84Å; F185-F188 HydrophobicContact CG-CZ 4.43Å; F185-F188 PolarHBondContact O-N 3.16Å; F188-I349 HydrophobicContact CD2-CD1 3.95Å; F188-I349 HydrophobicContact CE2-CD1 3.38Å; F188-I349 HydrophobicContact CZ-CD1 4.17Å; F188-M377 WeakPolarHBondContact CB-O 3.46Å; F188-M377 HydrophobicContact CD1-CB 4.43Å; F188-M377 HydrophobicContact CD1-CE 4.2Å; F188-M377 HydrophobicContact CD2-CE 4.4Å; F188-M377 HydrophobicContact CE1-CE 3.72Å; F188-M377 HydrophobicContact CE2-CE 3.93Å; F188-M377 HydrophobicContact CZ-CE 3.56Å; F188-L378 HydrophobicContact CD1-CD2 4.21Å; F188-Y382 HydrophobicContact CB-CD2 4.06Å; F188-Y382 HydrophobicContact CB-CE2 4.44Å; F188-Y382 AromaticContact CD2-CD2 3.98Å; F188-Y382 HydrophobicContact CD2-CD2 3.98Å; F188-Y382 HydrophobicContact CG-CD2 4.38Å; F188-Y382 PolarHBondContact O-N 3.36Å
189	F	91.1	Very high	91.2	Very high	6 Å²	6	36 Å²	36	3%	0.026	17%	0.172	C	C	.	.			trans	-100.5	143.1	166.9	-69.3	-54	0	0	0	110.4	I85 F185 I192 Y345 I349 V385	I85-F189 HydrophobicContact CD1-CB 4.25Å; F185-F189 HydrophobicContact CB-CD2 4.16Å; F185-F189 HydrophobicContact CD1-CD2 4.47Å; F185-F189 HydrophobicContact CD1-CE2 4.45Å; F185-F189 HydrophobicContact CG-CD2 4.3Å; F185-F189 WeakPolarHBondContact O-CA 3.34Å; F185-F189 WeakPolarHBondContact O-CB 3.31Å; F185-F189 PolarHBondContact O-N 3.49Å; F189-I192 HydrophobicContact CD2-CD1 4.03Å; F189-I192 HydrophobicContact CD2-CG1 4.23Å; F189-I192 HydrophobicContact CE2-CD1 4.48Å; F189-Y345 HydrophobicContact CE1-CD1 4.37Å; F189-Y345 HydrophobicContact CZ-CD1 4.31Å; F189-Y345 HydrophobicContact CZ-CE1 4.05Å; F189-I349 HydrophobicContact CE1-CD1 3.72Å; F189-I349 HydrophobicContact CE2-CD1 4.1Å; F189-I349 HydrophobicContact CZ-CD1 3.31Å; F189-I349 HydrophobicContact CZ-CG1 4.46Å; F189-V385 HydrophobicContact CD1-CG2 3.53Å; F189-V385 HydrophobicContact CD2-CG2 4.06Å; F189-V385 HydrophobicContact CE1-CG2 3.28Å; F189-V385 HydrophobicContact CE2-CG2 3.8Å; F189-V385 HydrophobicContact CG-CG2 3.92Å; F189-V385 HydrophobicContact CZ-CG2 3.41Å; F189-V385 VanDerWaalsContact CZ-CG2 3.41Å
190	W	89.1	Confident	91.2	Very high	159 Å²	159	36 Å²	36	60%	0.602	18%	0.175	S	C	*	.	S	Bend	trans	-73.2	-45.2	173	-175.1	-90.7	0	0	0	111.8	G383	W190-G383 PolarHBondContact N-O 3.36Å
191	S	92	Very high	91.3	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	146.3	177	69	0	0	0	0	111.4	N83 Q193 C384 V385	N83-S191 WeakPolarHBondContact ND2-CB 3.46Å; S191-Q193 WeakPolarHBondContact OG-CG 3.23Å; S191-Q193 PolarHBondContact OG-NE2 3.35Å; S191-Q193 VanDerWaalsContact OG-NE2 3.14Å; S191-C384 WeakPolarHBondContact O-CA 3.39Å; S191-C384 PolarHBondContact OG-SG 3Å; S191-V385 PolarHBondContact O-N 2.89Å
192	I	94.4	Very high	91.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	103.1	167.1	-62.1	-178.7	0	0	0	106.5	N83 V84 I85 F185 F189 L227 V385	N83-I192 CarbonylContact C-O 3.57Å; N83-I192 VanDerWaalsContact CA-O 3.29Å; N83-I192 WeakPolarHBondContact CA-O 3.48Å; N83-I192 PolarHBondContact OD1-N 2.88Å; N83-I192 PolarHBondContact OD1-O 3.37Å; V84-I192 HydrophobicContact CB-CB 4.46Å; V84-I192 HydrophobicContact CB-CG2 4.34Å; V84-I192 HydrophobicContact CG2-CG2 4.39Å; V84-I192 PolarHBondContact N-O 2.69Å; I85-I192 HydrophobicContact CD1-CG1 4.15Å; I85-I192 HydrophobicContact CG1-CB 4.36Å; I85-I192 HydrophobicContact CG1-CG1 4.27Å; I85-I192 HydrophobicContact CG2-CB 4.26Å; I85-I192 HydrophobicContact CG2-CD1 3.48Å; I85-I192 VanDerWaalsContact CG2-CD1 3.48Å; I85-I192 HydrophobicContact CG2-CG1 3.96Å; F185-I192 HydrophobicContact CB-CD1 4.04Å; F185-I192 HydrophobicContact CD2-CD1 3.57Å; F185-I192 HydrophobicContact CE2-CD1 4.35Å; F185-I192 HydrophobicContact CG-CD1 4.1Å; F189-I192 HydrophobicContact CD2-CD1 4.03Å; F189-I192 HydrophobicContact CD2-CG1 4.23Å; F189-I192 HydrophobicContact CE2-CD1 4.48Å; I192-L227 HydrophobicContact CD1-CD1 3.64Å; I192-L227 HydrophobicContact CG1-CD1 4.48Å; I192-L227 HydrophobicContact CG2-CD1 3.84Å; I192-V385 CarbonylContact C-O 3.58Å; I192-V385 WeakPolarHBondContact CA-O 3.2Å; I192-V385 HydrophobicContact CG1-CB 4.29Å; I192-V385 HydrophobicContact CG1-CG2 4.48Å
193	Q	94.1	Very high	91.5	Very high	32 Å²	32	37.1 Å²	37.1	15%	0.15	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	139.5	-172.5	-60.8	-177.6	11.9	0	0	111	R82 S191 V385 R386 V387	R82-Q193 WeakPolarHBondContact O-CA 3.39Å; S191-Q193 WeakPolarHBondContact OG-CG 3.23Å; S191-Q193 PolarHBondContact OG-NE2 3.35Å; S191-Q193 VanDerWaalsContact OG-NE2 3.14Å; Q193-V385 PolarHBondContact N-O 2.72Å; Q193-R386 VanDerWaalsContact O-CD 3.24Å; Q193-R386 WeakPolarHBondContact O-CD 3.32Å; Q193-V387 PolarHBondContact O-N 3.33Å
194	I	94.2	Very high	91.6	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	142.2	174.8	-55.3	-175.7	0	0	0	108.8	L81 R82 V84 K196 L199 I231 V387 F389	L81-I194 CarbonylContact C-O 3.53Å; L81-I194 WeakPolarHBondContact CA-O 3.5Å; R82-I194 PolarHBondContact N-O 3.25Å; R82-I194 PolarHBondContact O-N 3.46Å; V84-I194 HydrophobicContact CG2-CB 4.45Å; V84-I194 HydrophobicContact CG2-CD1 3.34Å; V84-I194 HydrophobicContact CG2-CG1 3.73Å; I194-K196 PolarHBondContact O-N 3.1Å; I194-L199 HydrophobicContact CG2-CB 4.47Å; I194-I231 HydrophobicContact CD1-CB 4Å; I194-I231 HydrophobicContact CD1-CD1 3.45Å; I194-I231 VanDerWaalsContact CD1-CD1 3.45Å; I194-I231 HydrophobicContact CD1-CG1 3.55Å; I194-I231 HydrophobicContact CD1-CG2 3.23Å; I194-I231 HydrophobicContact CG1-CD1 4.41Å; I194-V387 HydrophobicContact CG1-CB 4.25Å; I194-F389 HydrophobicContact CD1-CE2 4.28Å; I194-F389 HydrophobicContact CG2-CD2 4.21Å; I194-F389 HydrophobicContact CG2-CE2 4.35Å
195	H	92.6	Very high	91.7	Very high	16 Å²	16	32.9 Å²	32.9	7%	0.074	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	116.9	170.2	-166.6	-79.1	0	0	0	110.7	F55 I76 L81 G197 Q198 L199	F55-H195 AromaticContact CD2-CE1 3.8Å; F55-H195 AromaticContact CE2-CE1 3.71Å; F55-H195 AromaticContact CE2-ND1 3.77Å; I76-H195 PolarHBondContact O-CE1 3.38Å; L81-H195 HydrophobicContact CD2-CB 3.96Å; H195-G197 WeakPolarHBondContact ND1-CA 3.39Å; H195-G197 PolarHBondContact ND1-N 2.76Å; H195-G197 VanDerWaalsContact ND1-N 3.13Å; H195-G197 PolarHBondContact O-N 3.02Å; H195-Q198 HydrophobicContact CB-CB 4.18Å; H195-Q198 HydrophobicContact CB-CG 3.88Å; H195-Q198 PolarHBondContact ND1-N 3.04Å; H195-Q198 WeakPolarHBondContact O-CB 3.25Å; H195-Q198 PolarHBondContact O-N 3.19Å; H195-L199 PolarHBondContact O-N 3.1Å
196	K	90.9	Very high	91.6	Very high	88 Å²	88	33.9 Å²	33.9	38%	0.383	17%	0.166	S	C	.	.	H	α-helix	trans	-56.9	-40.5	-176.7	179.3	179.3	173.9	-170.2	0	111.5	L79 G80 I194 Q198 L199 E200	L79-K196 HydrophobicContact CB-CB 4.02Å; L79-K196 HydrophobicContact CB-CD 4.18Å; L79-K196 HydrophobicContact CB-CG 4.17Å; G80-K196 PolarHBondContact O-N 3.14Å; I194-K196 PolarHBondContact O-N 3.1Å; K196-Q198 VanDerWaalsContact C-N 3.35Å; K196-Q198 PolarHBondContact O-N 3.38Å; K196-L199 PolarHBondContact O-N 2.71Å; K196-E200 HydrophobicContact CG-CG 4.5Å; K196-E200 WeakPolarHBondContact O-CG 3.42Å; K196-E200 PolarHBondContact O-N 3.13Å
197	G	90.9	Very high	91.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.9	-36.3	178.5	0	0	0	0	0	114.4	I76 H195 L199 E200 M201	I76-G197 VanDerWaalsContact CG2-CA 3.49Å; H195-G197 WeakPolarHBondContact ND1-CA 3.39Å; H195-G197 PolarHBondContact ND1-N 2.76Å; H195-G197 VanDerWaalsContact ND1-N 3.13Å; H195-G197 PolarHBondContact O-N 3.02Å; G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.06Å; G197-E200 PolarHBondContact O-N 3.08Å; G197-M201 WeakPolarHBondContact O-CG 3.42Å; G197-M201 PolarHBondContact O-N 3.5Å
198	Q	93.9	Very high	91.5	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-40.9	177.2	-74.5	174.2	-13.3	0	0	110.9	F55 V56 H195 K196 M201 V202 D388 F389	F55-Q198 HydrophobicContact CE2-CG 3.83Å; F55-Q198 HydrophobicContact CZ-CG 3.94Å; V56-Q198 PolarHBondContact O-NE2 2.96Å; H195-Q198 HydrophobicContact CB-CB 4.18Å; H195-Q198 HydrophobicContact CB-CG 3.88Å; H195-Q198 PolarHBondContact ND1-N 3.04Å; H195-Q198 WeakPolarHBondContact O-CB 3.25Å; H195-Q198 PolarHBondContact O-N 3.19Å; K196-Q198 VanDerWaalsContact C-N 3.35Å; K196-Q198 PolarHBondContact O-N 3.38Å; Q198-M201 HydrophobicContact CG-CE 4.46Å; Q198-M201 WeakPolarHBondContact O-CB 3.3Å; Q198-M201 PolarHBondContact O-N 3.08Å; Q198-V202 PolarHBondContact O-N 2.55Å; Q198-D388 PolarHBondContact OE1-OD1 3.11Å; Q198-F389 HydrophobicContact CB-CB 4.18Å; Q198-F389 VanDerWaalsContact CB-O 3.23Å; Q198-F389 WeakPolarHBondContact CB-O 3.22Å; Q198-F389 VanDerWaalsContact CD-O 3.28Å; Q198-F389 WeakPolarHBondContact CG-O 3.39Å
199	L	92.8	Very high	91.2	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	19%	0.191	C	C	.	.	H	α-helix	trans	-71	-34.4	178.9	-168.7	57.7	0	0	0	113.2	I194 H195 K196 G197 M201 V202 K203 H235 I237 F389	I194-L199 HydrophobicContact CG2-CB 4.47Å; H195-L199 PolarHBondContact O-N 3.1Å; K196-L199 PolarHBondContact O-N 2.71Å; G197-L199 VanDerWaalsContact C-N 3.3Å; G197-L199 PolarHBondContact O-N 3.06Å; L199-M201 VanDerWaalsContact C-N 3.3Å; L199-M201 PolarHBondContact O-N 2.85Å; L199-V202 PolarHBondContact O-N 3.37Å; L199-K203 WeakPolarHBondContact O-CB 3.32Å; L199-K203 PolarHBondContact O-N 2.58Å; L199-H235 HydrophobicContact CD2-CB 4Å; L199-H235 VanDerWaalsContact CD2-CD2 3.41Å; L199-H235 WeakPolarHBondContact CD2-CD2 3.26Å; L199-H235 WeakPolarHBondContact CD2-CE1 3.3Å; L199-H235 WeakPolarHBondContact CD2-ND1 3.42Å; L199-H235 WeakPolarHBondContact CD2-NE2 3.5Å; L199-H235 HydrophobicContact CG-CB 4.49Å; L199-I237 HydrophobicContact CD1-CD1 3.75Å; L199-I237 HydrophobicContact CG-CD1 4.49Å; L199-F389 HydrophobicContact CD1-CE2 4.46Å
200	E	91.6	Very high	90.8	Very high	70 Å²	70	46.9 Å²	46.9	33%	0.327	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-35.6	172.2	-70	-59.5	151.9	0	0	111.6	L79 K196 G197 K203 K204	L79-E200 HydrophobicContact CD1-CG 4.35Å; K196-E200 HydrophobicContact CG-CG 4.5Å; K196-E200 WeakPolarHBondContact O-CG 3.42Å; K196-E200 PolarHBondContact O-N 3.13Å; G197-E200 PolarHBondContact O-N 3.08Å; E200-K203 PolarHBondContact O-N 3.48Å; E200-K204 VanDerWaalsContact O-CB 3.24Å; E200-K204 WeakPolarHBondContact O-CB 3.42Å; E200-K204 PolarHBondContact O-N 2.72Å
201	M	93.4	Very high	91	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-46.3	172.9	-62.6	-166.5	-65.9	0	0	111.7	F55 L71 F72 I76 G197 Q198 L199 K203 K204 A205 Q391	F55-M201 HydrophobicContact CE1-CE 4.28Å; F55-M201 HydrophobicContact CZ-CE 3.75Å; F55-M201 HydrophobicContact CZ-SD 4.47Å; L71-M201 VanDerWaalsContact O-CG 3.31Å; L71-M201 WeakPolarHBondContact O-CG 3.3Å; F72-M201 HydrophobicContact CB-SD 4.38Å; F72-M201 HydrophobicContact CD2-SD 4.07Å; I76-M201 HydrophobicContact CD1-CG 3.63Å; I76-M201 HydrophobicContact CD1-SD 4.09Å; G197-M201 WeakPolarHBondContact O-CG 3.42Å; G197-M201 PolarHBondContact O-N 3.5Å; Q198-M201 HydrophobicContact CG-CE 4.46Å; Q198-M201 WeakPolarHBondContact O-CB 3.3Å; Q198-M201 PolarHBondContact O-N 3.08Å; L199-M201 VanDerWaalsContact C-N 3.3Å; L199-M201 PolarHBondContact O-N 2.85Å; M201-K203 VanDerWaalsContact C-N 3.35Å; M201-K204 PolarHBondContact O-N 2.87Å; M201-A205 WeakPolarHBondContact O-CB 3.3Å; M201-A205 PolarHBondContact O-N 2.87Å; M201-Q391 HydrophobicContact CE-CB 3.85Å; M201-Q391 HydrophobicContact SD-CB 4.05Å; M201-Q391 HydrophobicContact SD-CG 4.07Å
202	V	94	Very high	91.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-42.3	177.6	179.1	0	0	0	0	110.8	Q198 L199 A205 A206 M213 F215 I237 V339 F389 P392	Q198-V202 PolarHBondContact O-N 2.55Å; L199-V202 PolarHBondContact O-N 3.37Å; V202-A205 PolarHBondContact O-N 3.31Å; V202-A206 WeakPolarHBondContact O-CB 3.4Å; V202-A206 PolarHBondContact O-N 2.96Å; V202-M213 HydrophobicContact CG1-CE 4.12Å; V202-F215 HydrophobicContact CG1-CE1 3.96Å; V202-F215 HydrophobicContact CG1-CZ 4.01Å; V202-I237 HydrophobicContact CG1-CD1 4.16Å; V202-V339 HydrophobicContact CG2-CG1 4.23Å; V202-F389 HydrophobicContact CG2-CB 3.94Å; V202-F389 HydrophobicContact CG2-CD1 4.23Å; V202-F389 HydrophobicContact CG2-CG 4.27Å; V202-P392 HydrophobicContact CG2-CG 4.16Å
203	K	92	Very high	91.1	Very high	94 Å²	94	41.1 Å²	41.1	41%	0.409	20%	0.201	S	C	.	.	H	α-helix	trans	-65.8	-43.1	178.9	-171.8	-178.1	173.6	-164.3	0	112.1	L199 E200 M201 A206 A207 I237	L199-K203 WeakPolarHBondContact O-CB 3.32Å; L199-K203 PolarHBondContact O-N 2.58Å; E200-K203 PolarHBondContact O-N 3.48Å; M201-K203 VanDerWaalsContact C-N 3.35Å; K203-A206 PolarHBondContact O-N 2.67Å; K203-A207 WeakPolarHBondContact O-CB 3.39Å; K203-A207 PolarHBondContact O-N 3.37Å; K203-I237 HydrophobicContact CB-CD1 4.1Å; K203-I237 HydrophobicContact CB-CG1 4.48Å; K203-I237 HydrophobicContact CG-CG1 4.48Å
204	K	91.3	Very high	91.2	Very high	82 Å²	82	39.7 Å²	39.7	36%	0.357	19%	0.194	S	C	.	.	H	α-helix	trans	-59.8	-48.8	174.7	-172.4	-176.5	177.4	-170.3	0	110.5	Q70 L71 E200 M201 A206 A207 E208	Q70-K204 PolarHBondContact O-NZ 3.37Å; L71-K204 HydrophobicContact CD2-CD 4.3Å; L71-K204 HydrophobicContact CD2-CG 4.42Å; E200-K204 VanDerWaalsContact O-CB 3.24Å; E200-K204 WeakPolarHBondContact O-CB 3.42Å; E200-K204 PolarHBondContact O-N 2.72Å; M201-K204 PolarHBondContact O-N 2.87Å; K204-A206 VanDerWaalsContact C-N 3.34Å; K204-A206 PolarHBondContact O-N 3.44Å; K204-A207 PolarHBondContact O-N 3.3Å; K204-E208 WeakPolarHBondContact CE-OE1 3.41Å; K204-E208 WeakPolarHBondContact CE-OE2 3.45Å; K204-E208 VanDerWaalsContact CG-CD 3.41Å; K204-E208 HydrophobicContact CG-CG 4.22Å; K204-E208 VanDerWaalsContact CG-OE1 3.25Å; K204-E208 WeakPolarHBondContact CG-OE1 3.23Å; K204-E208 WeakPolarHBondContact O-CB 3.38Å; K204-E208 WeakPolarHBondContact O-CG 3.45Å; K204-E208 PolarHBondContact O-N 2.96Å
205	A	91.9	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.3	-44.1	176.4	0	0	0	0	0	112.6	L71 M201 V202 R209 M213 L337 P392	L71-A205 HydrophobicContact CD1-CB 4.07Å; L71-A205 HydrophobicContact CD2-CB 4.15Å; M201-A205 WeakPolarHBondContact O-CB 3.3Å; M201-A205 PolarHBondContact O-N 2.87Å; V202-A205 PolarHBondContact O-N 3.31Å; A205-R209 WeakPolarHBondContact O-CB 3.45Å; A205-R209 PolarHBondContact O-N 3Å; A205-M213 HydrophobicContact CB-SD 4.36Å; A205-L337 HydrophobicContact CB-CD1 3.85Å; A205-P392 HydrophobicContact CB-CB 4.14Å; A205-P392 HydrophobicContact CB-CG 3.93Å
206	A	89.6	Confident	91.5	Very high	26 Å²	26	39 Å²	39	22%	0.215	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-41.3	177.8	0	0	0	0	0	113	V202 K203 K204 M213 F298	V202-A206 WeakPolarHBondContact O-CB 3.4Å; V202-A206 PolarHBondContact O-N 2.96Å; K203-A206 PolarHBondContact O-N 2.67Å; K204-A206 VanDerWaalsContact C-N 3.34Å; K204-A206 PolarHBondContact O-N 3.44Å; A206-M213 HydrophobicContact CB-CE 3.54Å; A206-F298 HydrophobicContact CB-CE2 4.43Å; A206-F298 HydrophobicContact CB-CZ 4.14Å
207	A	87	Confident	91.7	Very high	69 Å²	69	34.9 Å²	34.9	57%	0.57	17%	0.174	S	C	*	.	H	α-helix	trans	-80.5	-42.5	-174.9	0	0	0	0	0	113.1	K203 K204	K203-A207 WeakPolarHBondContact O-CB 3.39Å; K203-A207 PolarHBondContact O-N 3.37Å; K204-A207 PolarHBondContact O-N 3.3Å
208	E	86.8	Confident	91.7	Very high	126 Å²	126	35 Å²	35	59%	0.589	17%	0.174	S	C	*	.	H	α-helix	trans	-85.5	-43.6	-171.7	-66.7	178.4	-176	0	0	112.7	K204	K204-E208 WeakPolarHBondContact CE-OE1 3.41Å; K204-E208 WeakPolarHBondContact CE-OE2 3.45Å; K204-E208 VanDerWaalsContact CG-CD 3.41Å; K204-E208 HydrophobicContact CG-CG 4.22Å; K204-E208 VanDerWaalsContact CG-OE1 3.25Å; K204-E208 WeakPolarHBondContact CG-OE1 3.23Å; K204-E208 WeakPolarHBondContact O-CB 3.38Å; K204-E208 WeakPolarHBondContact O-CG 3.45Å; K204-E208 PolarHBondContact O-N 2.96Å
209	R	81.7	Confident	91.6	Very high	58 Å²	58	35.7 Å²	35.7	22%	0.219	18%	0.177	C	C	.	.	S	Bend	trans	-84.2	-24.6	-171.7	-60.2	-158	-177.7	-172	1.3	113.9	A205 L211 L337	A205-R209 WeakPolarHBondContact O-CB 3.45Å; A205-R209 PolarHBondContact O-N 3Å; R209-L211 HydrophobicContact CB-CB 4.45Å; R209-L211 HydrophobicContact CB-CD1 4.06Å; R209-L211 HydrophobicContact CB-CG 4.07Å; R209-L211 PolarHBondContact O-N 2.84Å; R209-L211 VanDerWaalsContact O-N 3.12Å; R209-L337 HydrophobicContact CB-CD1 4.4Å
210	K	83.8	Confident	91.2	Very high	148 Å²	148	36.3 Å²	36.3	64%	0.643	18%	0.18	S	C	*	.			trans	49.1	35.4	-175.1	-58.1	-178	-178.8	177.6	0	113.3	Q296	K210-Q296 PolarHBondContact O-NE2 3.12Å; K210-Q296 PolarHBondContact O-OE1 3.06Å
211	L	91.2	Very high	90.9	Very high	41 Å²	41	33 Å²	33	22%	0.215	17%	0.165	C	C	.	.			trans	-100	153.8	176.9	-67.2	174.1	0	0	0	110.5	R209 D335 L337	R209-L211 HydrophobicContact CB-CB 4.45Å; R209-L211 HydrophobicContact CB-CD1 4.06Å; R209-L211 HydrophobicContact CB-CG 4.07Å; R209-L211 PolarHBondContact O-N 2.84Å; R209-L211 VanDerWaalsContact O-N 3.12Å; L211-D335 HydrophobicContact CD1-CB 3.94Å; L211-D335 HydrophobicContact CD2-CB 4.2Å; L211-L337 HydrophobicContact CB-CG 4.27Å; L211-L337 HydrophobicContact CD1-CD2 4.12Å; L211-L337 HydrophobicContact CD1-CG 4.2Å
212	P	94.3	Very high	90.2	Very high	5 Å²	5	34 Å²	34	3%	0.032	17%	0.169	C	C	.	.			trans	-61	145	166.6	27.9	-34.6	0	0	0	110.5	L293 Q297 V336 L337	P212-L293 HydrophobicContact CB-CD2 3.9Å; P212-L293 HydrophobicContact CG-CD2 4.33Å; P212-Q297 WeakPolarHBondContact CB-O 3.21Å; P212-V336 HydrophobicContact CG-CG2 4.02Å; P212-L337 PolarHBondContact O-N 3.11Å
213	M	95.1	Very high	89.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.5	178.2	-59.6	-158.5	-76.4	0	0	110.8	V202 A205 A206 F215 F298 L299 L337	V202-M213 HydrophobicContact CG1-CE 4.12Å; A205-M213 HydrophobicContact CB-SD 4.36Å; A206-M213 HydrophobicContact CB-CE 3.54Å; M213-F215 HydrophobicContact CB-CE2 4.32Å; M213-F215 HydrophobicContact CE-CZ 4.11Å; M213-F298 HydrophobicContact CB-CD1 3.75Å; M213-F298 HydrophobicContact CB-CE1 4.08Å; M213-F298 HydrophobicContact CB-CG 4.05Å; M213-F298 HydrophobicContact CE-CD1 4.37Å; M213-F298 HydrophobicContact CE-CD2 3.83Å; M213-F298 HydrophobicContact CE-CE1 3.88Å; M213-F298 HydrophobicContact CE-CE2 3.27Å; M213-F298 HydrophobicContact CE-CG 4.37Å; M213-F298 HydrophobicContact CE-CZ 3.32Å; M213-F298 HydrophobicContact CG-CD1 4.04Å; M213-F298 HydrophobicContact CG-CE1 3.83Å; M213-F298 HydrophobicContact CG-CZ 4.24Å; M213-F298 CarbonylContact O-C 3.52Å; M213-F298 WeakPolarHBondContact O-CA 3.21Å; M213-L299 PolarHBondContact O-N 2.75Å; M213-L337 CarbonylContact C-O 3.37Å; M213-L337 VanDerWaalsContact CA-O 3.3Å; M213-L337 WeakPolarHBondContact CA-O 3.44Å; M213-L337 HydrophobicContact CG-CB 4.05Å; M213-L337 HydrophobicContact CG-CD1 4.24Å; M213-L337 HydrophobicContact SD-CD1 4.24Å
214	I	96.3	Very high	89.7	Confident	2 Å²	2	30.2 Å²	30.2	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.9	177.9	-55.2	-174.8	0	0	0	109.2	L216 L293 L299 V301 V324 V336 L337 V339	I214-L216 HydrophobicContact CG2-CD2 3.61Å; I214-L216 HydrophobicContact CG2-CG 3.94Å; I214-L293 HydrophobicContact CD1-CD2 4.32Å; I214-L299 CarbonylContact C-O 3.49Å; I214-L299 WeakPolarHBondContact CA-O 3.49Å; I214-L299 HydrophobicContact CD1-CD1 4.24Å; I214-L299 HydrophobicContact CG1-CB 4.19Å; I214-L299 HydrophobicContact CG1-CD1 4.41Å; I214-L299 HydrophobicContact CG2-CB 4.36Å; I214-V301 HydrophobicContact CG2-CG2 4.49Å; I214-V324 HydrophobicContact CD1-CB 3.9Å; I214-V324 HydrophobicContact CD1-CG1 3.29Å; I214-V324 HydrophobicContact CD1-CG2 3.32Å; I214-V336 HydrophobicContact CD1-CG1 3.63Å; I214-V336 HydrophobicContact CG1-CG1 3.61Å; I214-L337 PolarHBondContact N-O 3.34Å; I214-V339 PolarHBondContact O-N 2.89Å
215	F	96.7	Very high	89.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	122.9	174.1	-61.6	-85.5	0	0	0	109.2	V202 M213 P217 L232 P240 F298 L299 E300 V301 V339 V341 F389	V202-F215 HydrophobicContact CG1-CE1 3.96Å; V202-F215 HydrophobicContact CG1-CZ 4.01Å; M213-F215 HydrophobicContact CB-CE2 4.32Å; M213-F215 HydrophobicContact CE-CZ 4.11Å; F215-P217 VanDerWaalsContact C-CD 3.41Å; F215-P217 VanDerWaalsContact O-CD 3.26Å; F215-P217 WeakPolarHBondContact O-CD 3.11Å; F215-L232 HydrophobicContact CD2-CD1 4.18Å; F215-L232 HydrophobicContact CE1-CD1 4.11Å; F215-L232 HydrophobicContact CE1-CD2 4.16Å; F215-L232 HydrophobicContact CE2-CD1 3.7Å; F215-L232 HydrophobicContact CZ-CD1 3.66Å; F215-L232 HydrophobicContact CZ-CD2 3.99Å; F215-P240 HydrophobicContact CD2-CB 4.12Å; F215-P240 HydrophobicContact CD2-CG 4.44Å; F215-F298 HydrophobicContact CE2-CB 4.09Å; F215-F298 HydrophobicContact CE2-CD2 4.11Å; F215-F298 HydrophobicContact CE2-CG 4.33Å; F215-L299 PolarHBondContact N-O 3.42Å; F215-E300 HydrophobicContact CB-CG 4.42Å; F215-E300 WeakPolarHBondContact O-CA 3.46Å; F215-V301 PolarHBondContact O-N 2.83Å; F215-V339 WeakPolarHBondContact CA-O 3.38Å; F215-V339 HydrophobicContact CD1-CB 3.81Å; F215-V339 HydrophobicContact CD1-CG1 3.84Å; F215-V339 HydrophobicContact CD1-CG2 4.35Å; F215-V339 HydrophobicContact CE1-CB 4.08Å; F215-V339 HydrophobicContact CE1-CG1 3.95Å; F215-V339 HydrophobicContact CE1-CG2 4.19Å; F215-V341 HydrophobicContact CB-CG2 4.5Å; F215-V341 HydrophobicContact CD1-CG2 4.14Å; F215-F389 HydrophobicContact CD1-CD1 4.27Å; F215-F389 HydrophobicContact CD1-CE1 4.06Å; F215-F389 HydrophobicContact CE1-CD1 4.15Å; F215-F389 HydrophobicContact CE1-CE1 4Å
216	L	95.9	Very high	89.2	Confident	4 Å²	4	29.9 Å²	29.9	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	79.3	-176.8	-62.4	-179.6	0	0	0	109.6	I214 V301 L303 L321 V338 V339 V341 V459	I214-L216 HydrophobicContact CG2-CD2 3.61Å; I214-L216 HydrophobicContact CG2-CG 3.94Å; L216-V301 HydrophobicContact CD2-CB 3.82Å; L216-V301 HydrophobicContact CD2-CG1 4.45Å; L216-V301 WeakPolarHBondContact CD2-O 3.46Å; L216-L303 HydrophobicContact CB-CD1 4.44Å; L216-L303 HydrophobicContact CD1-CD1 4.21Å; L216-L303 HydrophobicContact CD2-CD2 4.03Å; L216-L303 HydrophobicContact CD2-CG 4.1Å; L216-L321 HydrophobicContact CD1-CD1 4.38Å; L216-V338 HydrophobicContact CD1-CG1 3.58Å; L216-V338 HydrophobicContact CG-CG1 4.39Å; L216-V339 PolarHBondContact N-O 2.89Å; L216-V341 PolarHBondContact O-N 3.28Å; L216-V341 VanDerWaalsContact O-N 3.15Å; L216-V459 HydrophobicContact CB-CG1 3.49Å; L216-V459 VanDerWaalsContact CB-CG1 3.49Å; L216-V459 HydrophobicContact CD1-CB 4.32Å; L216-V459 HydrophobicContact CD1-CG1 3.7Å; L216-V459 HydrophobicContact CD1-CG2 4.1Å; L216-V459 HydrophobicContact CG-CG1 4.22Å
217	P	94.8	Very high	89.2	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.006	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	154	180	32.1	-37.7	0	0	0	114.4	F215 I228 E300 F302 V341 I343	F215-P217 VanDerWaalsContact C-CD 3.41Å; F215-P217 VanDerWaalsContact O-CD 3.26Å; F215-P217 WeakPolarHBondContact O-CD 3.11Å; P217-I228 HydrophobicContact CB-CD1 3.47Å; P217-I228 VanDerWaalsContact CB-CD1 3.47Å; P217-I228 HydrophobicContact CG-CD1 3.57Å; P217-E300 HydrophobicContact CG-CG 4.32Å; P217-F302 HydrophobicContact CB-CD1 4.41Å; P217-F302 HydrophobicContact CB-CE1 4.06Å; P217-F302 HydrophobicContact CG-CD1 3.59Å; P217-F302 HydrophobicContact CG-CE1 3.33Å; P217-F302 HydrophobicContact CG-CG 4.4Å; P217-F302 HydrophobicContact CG-CZ 3.9Å; P217-V341 VanDerWaalsContact CA-O 3.28Å; P217-V341 WeakPolarHBondContact CA-O 3.2Å; P217-V341 HydrophobicContact CB-CB 4Å; P217-V341 HydrophobicContact CB-CG1 4.45Å; P217-I343 HydrophobicContact CB-CD1 4.25Å
218	V	92.6	Very high	89.4	Confident	2 Å²	2	25.4 Å²	25.4	1%	0.012	12%	0.116	C	C	.	.			trans	-66.1	144.2	157.1	-65	0	0	0	0	109.9	E304 V341 I343 L460 A463 N464	V218-E304 WeakPolarHBondContact CA-OE1 3.46Å; V218-V341 PolarHBondContact N-O 2.78Å; V218-V341 VanDerWaalsContact N-O 3.12Å; V218-I343 HydrophobicContact CG2-CB 4.17Å; V218-I343 HydrophobicContact CG2-CG1 4.48Å; V218-L460 HydrophobicContact CG1-CD1 4Å; V218-A463 HydrophobicContact CG1-CB 3.94Å; V218-N464 HydrophobicContact CG1-CB 4.4Å
219	H	90.1	Very high	89.5	Confident	16 Å²	16	20.3 Å²	20.3	7%	0.074	9%	0.093	C	C	.	.			trans	-112	103.4	-176.2	-160.2	16.5	0	0	0	111.7	S221 D224 F302 E304 R307 S308	H219-S221 PolarHBondContact CE1-O 2.73Å; H219-S221 PolarHBondContact ND1-O 2.95Å; H219-D224 WeakPolarHBondContact CA-OD2 3.13Å; H219-D224 IonicContact CE1-OD2 2.86Å; H219-D224 IonicContact CG-OD2 2.74Å; H219-D224 IonicContact ND1-OD2 3.4Å; H219-D224 PolarHBondContact ND1-OD2 2.82Å; H219-F302 HydrophobicContact CB-CB 4.36Å; H219-F302 HydrophobicContact CB-CD1 3.46Å; H219-F302 VanDerWaalsContact CB-CD1 3.46Å; H219-F302 HydrophobicContact CB-CE1 4.08Å; H219-F302 HydrophobicContact CB-CG 4.19Å; H219-F302 AromaticContact CG-CD1 3.46Å; H219-F302 VanDerWaalsContact CG-CD1 3.46Å; H219-F302 AromaticContact CG-CE1 3.81Å; H219-F302 AromaticContact CG-CG 3.97Å; H219-F302 AromaticContact ND1-CD1 3.73Å; H219-F302 AromaticContact ND1-CE1 3.56Å; H219-E304 PolarHBondContact N-OE1 2.9Å; H219-R307 PolarHBondContact CD2-N 3.1Å; H219-R307 VanDerWaalsContact CD2-N 3.31Å; H219-R307 CarbonylContact O-C 3.57Å; H219-R307 WeakPolarHBondContact O-CA 3.47Å; H219-S308 WeakPolarHBondContact O-CB 3.37Å; H219-S308 PolarHBondContact O-N 3.12Å
220	K	85.7	Confident	89.9	Confident	18 Å²	18	17.7 Å²	17.7	8%	0.078	8%	0.084	C	C	.	.			trans	-111	-25.7	177.9	-65.4	179.2	-176.6	166.6	0	112.9	D224 I343 Y345 I348	K220-D224 PolarHBondContact N-OD2 2.88Å; K220-I343 WeakPolarHBondContact CD-O 3.2Å; K220-I343 WeakPolarHBondContact CE-O 3.36Å; K220-I343 PolarHBondContact NZ-O 3.46Å; K220-Y345 HydrophobicContact CB-CD2 4.34Å; K220-Y345 HydrophobicContact CB-CE2 4.22Å; K220-I348 HydrophobicContact CB-CD1 4.06Å
221	S	84.8	Confident	90.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.			trans	-146.8	152.7	-177	178.4	0	0	0	0	113.2	H219 I223 D224 E350	H219-S221 PolarHBondContact CE1-O 2.73Å; H219-S221 PolarHBondContact ND1-O 2.95Å; S221-I223 PolarHBondContact O-N 3.31Å; S221-I223 PolarHBondContact OG-N 3.25Å; S221-I223 VanDerWaalsContact OG-N 3.14Å; S221-D224 PolarHBondContact N-OD2 3.02Å; S221-D224 VanDerWaalsContact O-CB 3.3Å; S221-D224 WeakPolarHBondContact O-CB 3.35Å; S221-D224 PolarHBondContact O-N 2.88Å; S221-E350 VanDerWaalsContact CA-OE1 3.26Å; S221-E350 WeakPolarHBondContact CA-OE1 3.45Å; S221-E350 WeakPolarHBondContact CB-OE1 3.47Å; S221-E350 PolarHBondContact OG-OE1 2.98Å
222	H	79.7	Confident	90.4	Very high	21 Å²	21	8.8 Å²	8.8	10%	0.097	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-8.3	162.6	-70.1	-53.3	0	0	0	114.2	Y225 R307 E350 E365	H222-Y225 HydrophobicContact CB-CE1 4.12Å; H222-Y225 WeakPolarHBondContact O-CE1 3.4Å; H222-Y225 WeakPolarHBondContact O-CE2 3.35Å; H222-Y225 PolarHBondContact O-OH 3.22Å; H222-R307 PolarHBondContact CD2-NH1 2.82Å; H222-R307 VanDerWaalsContact CD2-NH1 3.28Å; H222-R307 PolarHBondContact NE2-NH1 2.71Å; H222-E350 VanDerWaalsContact CB-OE1 3.31Å; H222-E350 WeakPolarHBondContact CB-OE1 3.48Å; H222-E350 IonicContact CD2-OE1 3.94Å; H222-E350 IonicContact CD2-OE2 2.7Å; H222-E350 IonicContact CG-OE1 2.97Å; H222-E350 PolarHBondContact N-OE1 3.2Å; H222-E365 IonicContact CD2-OE1 2.92Å
223	I	86.1	Confident	90.2	Very high	16 Å²	16	9.1 Å²	9.1	8%	0.082	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-17.1	173.7	-69.3	163.3	0	0	0	112	F185 S221 Y225 L226 L227 I349 M377	F185-I223 HydrophobicContact CE1-CG2 3.98Å; F185-I223 HydrophobicContact CZ-CG2 3.7Å; S221-I223 PolarHBondContact O-N 3.31Å; S221-I223 PolarHBondContact OG-N 3.25Å; S221-I223 VanDerWaalsContact OG-N 3.14Å; I223-Y225 VanDerWaalsContact C-N 3.28Å; I223-Y225 PolarHBondContact O-N 2.91Å; I223-L226 PolarHBondContact O-N 2.87Å; I223-L227 WeakPolarHBondContact O-CB 3.42Å; I223-L227 PolarHBondContact O-N 3.44Å; I223-I349 HydrophobicContact CD1-CB 4Å; I223-I349 HydrophobicContact CD1-CD1 3.13Å; I223-I349 HydrophobicContact CD1-CG1 4.11Å; I223-I349 HydrophobicContact CD1-CG2 3.94Å; I223-M377 HydrophobicContact CD1-CE 4.03Å
224	D	89.1	Confident	90	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-53.6	-44.4	-175.6	-59.8	-20.1	0	0	0	112.1	H219 K220 S221 L226 L227 I228 F302 I343 Y345	H219-D224 WeakPolarHBondContact CA-OD2 3.13Å; H219-D224 IonicContact CE1-OD2 2.86Å; H219-D224 IonicContact CG-OD2 2.74Å; H219-D224 IonicContact ND1-OD2 3.4Å; H219-D224 PolarHBondContact ND1-OD2 2.82Å; K220-D224 PolarHBondContact N-OD2 2.88Å; S221-D224 PolarHBondContact N-OD2 3.02Å; S221-D224 VanDerWaalsContact O-CB 3.3Å; S221-D224 WeakPolarHBondContact O-CB 3.35Å; S221-D224 PolarHBondContact O-N 2.88Å; D224-L226 VanDerWaalsContact C-N 3.32Å; D224-L226 PolarHBondContact O-N 3.22Å; D224-L227 WeakPolarHBondContact O-CB 3.37Å; D224-L227 PolarHBondContact O-N 2.87Å; D224-L227 VanDerWaalsContact O-N 3.16Å; D224-I228 PolarHBondContact O-N 3.27Å; D224-I228 VanDerWaalsContact O-N 3.16Å; D224-F302 HydrophobicContact CB-CE1 3.83Å; D224-F302 HydrophobicContact CB-CZ 3.95Å; D224-I343 HydrophobicContact CB-CD1 3.9Å; D224-Y345 WeakPolarHBondContact OD1-CE2 3.1Å; D224-Y345 PolarHBondContact OD1-OH 3.22Å
225	Y	84.1	Confident	89.7	Confident	31 Å²	31	10.9 Å²	10.9	12%	0.122	5%	0.053	C	C	.	.	H	α-helix	trans	-68.1	-29	-179.6	50.1	-105.2	0	0	0	114.1	H222 I223 T229 L248 E300	H222-Y225 HydrophobicContact CB-CE1 4.12Å; H222-Y225 WeakPolarHBondContact O-CE1 3.4Å; H222-Y225 WeakPolarHBondContact O-CE2 3.35Å; H222-Y225 PolarHBondContact O-OH 3.22Å; I223-Y225 VanDerWaalsContact C-N 3.28Å; I223-Y225 PolarHBondContact O-N 2.91Å; Y225-T229 PolarHBondContact O-OG1 2.73Å; Y225-L248 HydrophobicContact CE1-CD1 4.24Å; Y225-E300 WeakPolarHBondContact CA-OE1 3.49Å
226	L	87.6	Confident	89.3	Confident	44 Å²	44	14.5 Å²	14.5	23%	0.23	7%	0.072	C	C	.	.	H	α-helix	trans	-79.2	-34.3	173.5	-59.8	177.2	0	0	0	110.7	L181 F185 I223 D224 L230	L181-L226 HydrophobicContact CD1-CB 4.28Å; L181-L226 HydrophobicContact CD2-CD1 4.04Å; F185-L226 HydrophobicContact CZ-CB 4.26Å; I223-L226 PolarHBondContact O-N 2.87Å; D224-L226 VanDerWaalsContact C-N 3.32Å; D224-L226 PolarHBondContact O-N 3.22Å; L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 PolarHBondContact O-N 3.43Å
227	L	90.1	Very high	89	Confident	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-66.1	-54.1	-174.4	-174	61	0	0	0	111.4	F185 I192 I223 D224 T229 L230 I231 I343 V385 V387	F185-L227 HydrophobicContact CE2-CD1 4.2Å; I192-L227 HydrophobicContact CD1-CD1 3.64Å; I192-L227 HydrophobicContact CG1-CD1 4.48Å; I192-L227 HydrophobicContact CG2-CD1 3.84Å; I223-L227 WeakPolarHBondContact O-CB 3.42Å; I223-L227 PolarHBondContact O-N 3.44Å; D224-L227 WeakPolarHBondContact O-CB 3.37Å; D224-L227 PolarHBondContact O-N 2.87Å; D224-L227 VanDerWaalsContact O-N 3.16Å; L227-T229 PolarHBondContact O-N 3.48Å; L227-L230 PolarHBondContact O-N 3.02Å; L227-I231 HydrophobicContact CD1-CD1 4.04Å; L227-I231 HydrophobicContact CG-CD1 3.85Å; L227-I231 WeakPolarHBondContact O-CD1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.38Å; L227-I231 PolarHBondContact O-N 2.96Å; L227-I343 HydrophobicContact CD2-CG2 4.18Å; L227-V385 HydrophobicContact CD2-CG1 3.72Å; L227-V387 HydrophobicContact CD2-CG2 3.44Å; L227-V387 VanDerWaalsContact CD2-CG2 3.44Å; L227-V387 HydrophobicContact CG-CG2 3.94Å
228	I	91.2	Very high	88.6	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.5	-48.1	-179.6	-62.4	173	0	0	0	110.3	P217 D224 L230 I231 L232 V341 I343 F389	P217-I228 HydrophobicContact CB-CD1 3.47Å; P217-I228 VanDerWaalsContact CB-CD1 3.47Å; P217-I228 HydrophobicContact CG-CD1 3.57Å; D224-I228 PolarHBondContact O-N 3.27Å; D224-I228 VanDerWaalsContact O-N 3.16Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 2.95Å; I228-I231 PolarHBondContact O-N 3.46Å; I228-L232 HydrophobicContact CG2-CD1 3.89Å; I228-L232 HydrophobicContact CG2-CG 4.35Å; I228-L232 WeakPolarHBondContact O-CG 3.35Å; I228-L232 PolarHBondContact O-N 3.2Å; I228-V341 HydrophobicContact CD1-CG1 4.21Å; I228-I343 HydrophobicContact CD1-CD1 4.23Å; I228-I343 HydrophobicContact CG1-CD1 4.39Å; I228-F389 HydrophobicContact CG2-CE1 4.32Å; I228-F389 HydrophobicContact CG2-CZ 4.47Å
229	T	89.1	Confident	88.3	Confident	19 Å²	19	16.9 Å²	16.9	12%	0.117	9%	0.086	C	C	.	.	H	α-helix	trans	-57.7	-43.3	177.4	-66.5	0	0	0	0	112	Y225 L227 F233 A239	Y225-T229 PolarHBondContact O-OG1 2.73Å; L227-T229 PolarHBondContact O-N 3.48Å; T229-F233 VanDerWaalsContact O-CB 3.29Å; T229-F233 WeakPolarHBondContact O-CB 3.47Å; T229-F233 PolarHBondContact O-N 2.88Å; T229-A239 HydrophobicContact CG2-CB 4.18Å
230	L	90.8	Very high	88.3	Confident	4 Å²	4	16.2 Å²	16.2	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-43.7	177.5	178.2	66.1	0	0	0	112	L181 L182 F185 L226 L227 I228 F233 C234	L181-L230 HydrophobicContact CB-CD1 4.17Å; L181-L230 HydrophobicContact CB-CD2 4.03Å; L182-L230 HydrophobicContact CD2-CD1 4.41Å; L182-L230 HydrophobicContact CD2-CD2 4.3Å; L182-L230 HydrophobicContact CG-CD1 4.08Å; F185-L230 HydrophobicContact CD2-CD2 3.43Å; F185-L230 VanDerWaalsContact CD2-CD2 3.43Å; F185-L230 HydrophobicContact CE2-CD2 3.48Å; F185-L230 VanDerWaalsContact CE2-CD2 3.48Å; L226-L230 WeakPolarHBondContact O-CB 3.34Å; L226-L230 PolarHBondContact O-N 3.43Å; L227-L230 PolarHBondContact O-N 3.02Å; I228-L230 VanDerWaalsContact C-N 3.31Å; I228-L230 PolarHBondContact O-N 2.95Å; L230-F233 HydrophobicContact CD1-CD1 4.33Å; L230-F233 WeakPolarHBondContact O-CB 3.43Å; L230-F233 PolarHBondContact O-N 2.87Å; L230-C234 PolarHBondContact O-N 3.27Å; L230-C234 PolarHBondContact O-SG 3.42Å
231	I	92.8	Very high	88.6	Confident	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-61.2	-50.3	-179.6	-70.4	162.9	0	0	0	110.3	V84 I194 L227 I228 F233 C234 H235 V387 F389	V84-I231 HydrophobicContact CG1-CG1 4.4Å; V84-I231 HydrophobicContact CG2-CG1 4.43Å; I194-I231 HydrophobicContact CD1-CB 4Å; I194-I231 HydrophobicContact CD1-CD1 3.45Å; I194-I231 VanDerWaalsContact CD1-CD1 3.45Å; I194-I231 HydrophobicContact CD1-CG1 3.55Å; I194-I231 HydrophobicContact CD1-CG2 3.23Å; I194-I231 HydrophobicContact CG1-CD1 4.41Å; L227-I231 HydrophobicContact CD1-CD1 4.04Å; L227-I231 HydrophobicContact CG-CD1 3.85Å; L227-I231 WeakPolarHBondContact O-CD1 3.3Å; L227-I231 WeakPolarHBondContact O-CG1 3.38Å; L227-I231 PolarHBondContact O-N 2.96Å; I228-I231 PolarHBondContact O-N 3.46Å; I231-F233 VanDerWaalsContact C-N 3.3Å; I231-F233 PolarHBondContact O-N 2.9Å; I231-C234 PolarHBondContact O-N 3.39Å; I231-H235 PolarHBondContact O-CD2 3.25Å; I231-H235 VanDerWaalsContact O-CD2 3.3Å; I231-H235 PolarHBondContact O-N 3.26Å; I231-V387 HydrophobicContact CD1-CB 3.99Å; I231-V387 HydrophobicContact CD1-CG1 4.03Å; I231-V387 HydrophobicContact CD1-CG2 3.76Å; I231-F389 HydrophobicContact CG2-CE2 3.79Å; I231-F389 HydrophobicContact CG2-CZ 3.89Å
232	L	91.6	Very high	88.8	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.6	-43.1	179.5	-64.2	175.3	0	0	0	110.6	F215 I228 C234 H235 N236 I237 P240 F389	F215-L232 HydrophobicContact CD2-CD1 4.18Å; F215-L232 HydrophobicContact CE1-CD1 4.11Å; F215-L232 HydrophobicContact CE1-CD2 4.16Å; F215-L232 HydrophobicContact CE2-CD1 3.7Å; F215-L232 HydrophobicContact CZ-CD1 3.66Å; F215-L232 HydrophobicContact CZ-CD2 3.99Å; I228-L232 HydrophobicContact CG2-CD1 3.89Å; I228-L232 HydrophobicContact CG2-CG 4.35Å; I228-L232 WeakPolarHBondContact O-CG 3.35Å; I228-L232 PolarHBondContact O-N 3.2Å; L232-C234 PolarHBondContact O-N 2.93Å; L232-H235 CarbonylContact O-C 3.56Å; L232-H235 PolarHBondContact O-N 3.02Å; L232-H235 VanDerWaalsContact O-N 3.14Å; L232-N236 PolarHBondContact O-N 3.35Å; L232-I237 CarbonylContact C-O 3.56Å; L232-I237 HydrophobicContact CB-CB 4.13Å; L232-I237 HydrophobicContact CB-CG2 4.44Å; L232-I237 HydrophobicContact CD2-CB 4.08Å; L232-I237 HydrophobicContact CD2-CD1 3.94Å; L232-I237 HydrophobicContact CD2-CG2 3.96Å; L232-I237 PolarHBondContact O-N 3.1Å; L232-I237 VanDerWaalsContact O-O 3.13Å; L232-P240 HydrophobicContact CD1-CG 4.02Å; L232-F389 HydrophobicContact CD2-CE1 4.24Å; L232-F389 HydrophobicContact CD2-CZ 4.35Å
233	F	90.4	Very high	89.2	Confident	13 Å²	13	16 Å²	16	6%	0.057	9%	0.085	C	C	.	.	H	α-helix	trans	-58.4	-45	174	170.3	-102.5	0	0	0	113	V108 R111 V113 I174 R175 T229 L230 I231 H235 N236	V108-F233 HydrophobicContact CG1-CE1 4.35Å; V108-F233 HydrophobicContact CG1-CZ 3.99Å; V108-F233 HydrophobicContact CG2-CE1 4.21Å; R111-F233 HydrophobicContact CB-CD2 4.45Å; R111-F233 HydrophobicContact CB-CE2 3.67Å; R111-F233 HydrophobicContact CB-CZ 3.72Å; R111-F233 WeakPolarHBondContact CD-O 3.47Å; R111-F233 HydrophobicContact CG-CE1 3.91Å; R111-F233 HydrophobicContact CG-CE2 3.95Å; R111-F233 HydrophobicContact CG-CZ 3.58Å; V113-F233 HydrophobicContact CG2-CD2 4.2Å; V113-F233 HydrophobicContact CG2-CE2 3.64Å; I174-F233 HydrophobicContact CG2-CD2 3.75Å; I174-F233 HydrophobicContact CG2-CE2 3.82Å; R175-F233 HydrophobicContact CG-CZ 4.49Å; T229-F233 VanDerWaalsContact O-CB 3.29Å; T229-F233 WeakPolarHBondContact O-CB 3.47Å; T229-F233 PolarHBondContact O-N 2.88Å; L230-F233 HydrophobicContact CD1-CD1 4.33Å; L230-F233 WeakPolarHBondContact O-CB 3.43Å; L230-F233 PolarHBondContact O-N 2.87Å; I231-F233 VanDerWaalsContact C-N 3.3Å; I231-F233 PolarHBondContact O-N 2.9Å; F233-H235 PolarHBondContact O-N 3.32Å; F233-H235 VanDerWaalsContact O-N 3.16Å; F233-N236 PolarHBondContact O-N 2.97Å
234	C	90.4	Very high	89	Confident	5 Å²	5	15.6 Å²	15.6	3%	0.034	9%	0.085	C	C	.	.	H	α-helix	trans	-61.2	-26.4	179	-69.9	0	0	0	0	112.4	V84 F107 R111 L230 I231 L232	V84-C234 HydrophobicContact CG1-CB 4.1Å; F107-C234 HydrophobicContact CE1-CB 4.09Å; F107-C234 HydrophobicContact CZ-CB 4.06Å; F107-C234 WeakPolarHBondContact CZ-O 3.29Å; R111-C234 PolarHBondContact NH1-O 3.21Å; L230-C234 PolarHBondContact O-N 3.27Å; L230-C234 PolarHBondContact O-SG 3.42Å; I231-C234 PolarHBondContact O-N 3.39Å; L232-C234 PolarHBondContact O-N 2.93Å
235	H	89.6	Confident	88.4	Confident	33 Å²	33	16.7 Å²	16.7	15%	0.153	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	15	-175.6	-73.8	-96	0	0	0	114.8	L199 I231 L232 F233 I237	L199-H235 HydrophobicContact CD2-CB 4Å; L199-H235 VanDerWaalsContact CD2-CD2 3.41Å; L199-H235 WeakPolarHBondContact CD2-CD2 3.26Å; L199-H235 WeakPolarHBondContact CD2-CE1 3.3Å; L199-H235 WeakPolarHBondContact CD2-ND1 3.42Å; L199-H235 WeakPolarHBondContact CD2-NE2 3.5Å; L199-H235 HydrophobicContact CG-CB 4.49Å; I231-H235 PolarHBondContact O-CD2 3.25Å; I231-H235 VanDerWaalsContact O-CD2 3.3Å; I231-H235 PolarHBondContact O-N 3.26Å; L232-H235 CarbonylContact O-C 3.56Å; L232-H235 PolarHBondContact O-N 3.02Å; L232-H235 VanDerWaalsContact O-N 3.14Å; F233-H235 PolarHBondContact O-N 3.32Å; F233-H235 VanDerWaalsContact O-N 3.16Å; H235-I237 HydrophobicContact CB-CD1 4.44Å; H235-I237 HydrophobicContact CB-CG1 4.47Å; H235-I237 PolarHBondContact O-N 2.91Å
236	N	89.2	Confident	87.8	Confident	76 Å²	76	18.2 Å²	18.2	41%	0.406	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	30.9	-177.6	-58.6	-43.3	0	0	0	112.9	R111 D112 L232 F233	R111-N236 WeakPolarHBondContact CD-OD1 3.32Å; R111-N236 PolarHBondContact NH1-ND2 2.94Å; D112-N236 HydrophobicContact CB-CB 4.46Å; D112-N236 PolarHBondContact N-OD1 3.34Å; D112-N236 VanDerWaalsContact N-OD1 3.12Å; L232-N236 PolarHBondContact O-N 3.35Å; F233-N236 PolarHBondContact O-N 2.97Å
237	I	89	Confident	86.8	Confident	8 Å²	8	19.2 Å²	19.2	4%	0.041	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-96.2	136.8	169.1	-56.5	172.2	0	0	0	106.8	L199 V202 K203 L232 H235 A239 F298	L199-I237 HydrophobicContact CD1-CD1 3.75Å; L199-I237 HydrophobicContact CG-CD1 4.49Å; V202-I237 HydrophobicContact CG1-CD1 4.16Å; K203-I237 HydrophobicContact CB-CD1 4.1Å; K203-I237 HydrophobicContact CB-CG1 4.48Å; K203-I237 HydrophobicContact CG-CG1 4.48Å; L232-I237 CarbonylContact C-O 3.56Å; L232-I237 HydrophobicContact CB-CB 4.13Å; L232-I237 HydrophobicContact CB-CG2 4.44Å; L232-I237 HydrophobicContact CD2-CB 4.08Å; L232-I237 HydrophobicContact CD2-CD1 3.94Å; L232-I237 HydrophobicContact CD2-CG2 3.96Å; L232-I237 PolarHBondContact O-N 3.1Å; L232-I237 VanDerWaalsContact O-O 3.13Å; H235-I237 HydrophobicContact CB-CD1 4.44Å; H235-I237 HydrophobicContact CB-CG1 4.47Å; H235-I237 PolarHBondContact O-N 2.91Å; I237-A239 PolarHBondContact O-N 2.99Å; I237-F298 HydrophobicContact CG2-CD2 4.43Å; I237-F298 HydrophobicContact CG2-CE2 3.88Å
238	K	86.9	Confident	85.6	Confident	33 Å²	33	20.7 Å²	20.7	14%	0.143	12%	0.12	C	C	.	.	P	Polyproline II helix	trans	-52.9	130	178.3	176.3	177	174.8	173	0	110.8	M117 Q296 Q297 F298	M117-K238 HydrophobicContact CE-CB 3.65Å; M117-K238 HydrophobicContact CE-CG 4.04Å; M117-K238 WeakPolarHBondContact O-CE 3.2Å; M117-K238 PolarHBondContact O-NZ 3.46Å; M117-K238 VanDerWaalsContact O-NZ 3.16Å; K238-Q296 PolarHBondContact NZ-O 2.79Å; K238-Q297 VanDerWaalsContact CE-CD 3.46Å; K238-Q297 VanDerWaalsContact NZ-OE1 3.11Å; K238-F298 HydrophobicContact CB-CD2 3.94Å; K238-F298 HydrophobicContact CB-CE2 3.68Å; K238-F298 HydrophobicContact CB-CZ 4.35Å; K238-F298 HydrophobicContact CD-CE2 4.48Å; K238-F298 HydrophobicContact CG-CD2 4.31Å; K238-F298 HydrophobicContact CG-CE2 4.41Å; K238-F298 VanDerWaalsContact O-CD2 3.25Å; K238-F298 WeakPolarHBondContact O-CD2 3.47Å
239	A	85.2	Confident	84.3	Confident	17 Å²	17	24 Å²	24	14%	0.14	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-67.5	138.7	178.8	0	0	0	0	0	111	T229 I237	T229-A239 HydrophobicContact CG2-CB 4.18Å; I237-A239 PolarHBondContact O-N 2.99Å
240	P	90.7	Very high	83.6	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-79.2	155.1	-179.6	32.6	-34.4	0	0	0	112	F215 L232 F298 E300	F215-P240 HydrophobicContact CD2-CB 4.12Å; F215-P240 HydrophobicContact CD2-CG 4.44Å; L232-P240 HydrophobicContact CD1-CG 4.02Å; P240-F298 CarbonylContact C-O 3.54Å; P240-F298 WeakPolarHBondContact CA-O 3.44Å; P240-F298 HydrophobicContact CB-CB 4.04Å; P240-E300 HydrophobicContact CB-CB 3.96Å; P240-E300 HydrophobicContact CG-CB 3.97Å
241	H	91.6	Very high	82.3	Confident	3 Å²	3	28.5 Å²	28.5	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	121.5	167.3	-70.2	70.5	0	0	0	109.3	G261 F263 L292 Q297 F298 L299 E300	H241-G261 WeakPolarHBondContact CA-O 3.29Å; H241-G261 WeakPolarHBondContact CB-O 3.33Å; H241-G261 PolarHBondContact CD2-O 2.82Å; H241-F263 HydrophobicContact CB-CD1 4.14Å; H241-F263 HydrophobicContact CB-CE1 4.17Å; H241-L292 HydrophobicContact CB-CD1 4.14Å; H241-Q297 PolarHBondContact CE1-OE1 3.24Å; H241-Q297 VanDerWaalsContact CE1-OE1 3.23Å; H241-F298 PolarHBondContact N-O 3.13Å; H241-L299 HydrophobicContact CB-CD2 3.94Å; H241-L299 WeakPolarHBondContact O-CA 3.33Å; H241-E300 PolarHBondContact O-N 2.93Å
242	I	90.3	Very high	81.3	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.2	-172.2	-54.3	161.1	0	0	0	109.7	A244 G261 G262 F263 E300	I242-A244 PolarHBondContact O-N 2.56Å; I242-A244 VanDerWaalsContact O-N 3.14Å; I242-G261 PolarHBondContact N-O 3.35Å; I242-G262 CarbonylContact O-C 3.52Å; I242-G262 WeakPolarHBondContact O-CA 3.42Å; I242-F263 VanDerWaalsContact O-CD1 3.29Å; I242-F263 WeakPolarHBondContact O-CD1 3.39Å; I242-F263 PolarHBondContact O-N 2.88Å; I242-E300 HydrophobicContact CG1-CB 4.35Å
243	A	88	Confident	80.4	Confident	18 Å²	18	35.7 Å²	35.7	15%	0.149	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	94.6	170.2	0	0	0	0	0	110.6	F263 I265 E300 V301	A243-F263 HydrophobicContact CB-CE1 4.16Å; A243-F263 HydrophobicContact CB-CE2 4.32Å; A243-F263 HydrophobicContact CB-CZ 3.76Å; A243-I265 HydrophobicContact CB-CD1 3.62Å; A243-E300 PolarHBondContact N-O 3.47Å; A243-E300 VanDerWaalsContact N-O 3.08Å; A243-V301 HydrophobicContact CB-CG2 4.28Å
244	A	81.6	Confident	79.7	Confident	9 Å²	9	36.1 Å²	36.1	7%	0.074	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.3	-176.4	0	0	0	0	0	112.2	I242 I257 F263 F264 I265	I242-A244 PolarHBondContact O-N 2.56Å; I242-A244 VanDerWaalsContact O-N 3.14Å; A244-I257 HydrophobicContact CB-CG2 4.39Å; A244-F263 PolarHBondContact N-O 3.3Å; A244-F264 HydrophobicContact CB-CD1 4.14Å; A244-F264 HydrophobicContact CB-CE1 4.13Å; A244-F264 CarbonylContact O-C 3.53Å; A244-F264 WeakPolarHBondContact O-CA 3.47Å; A244-I265 PolarHBondContact O-N 3.04Å
245	G	76.9	Confident	79.1	Confident	23 Å²	23	39.6 Å²	39.6	24%	0.237	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.4	173	0	0	0	0	0	112.3	N247 L248	G245-N247 PolarHBondContact O-N 2.97Å; G245-L248 PolarHBondContact O-N 3.18Å
246	N	70.9	Confident	78.5	Confident	62 Å²	62	39.9 Å²	39.9	33%	0.332	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-54.8	-22.3	175.6	67.6	-20.6	0	0	0	114.7	L248 S249 I265	N246-L248 PolarHBondContact O-N 3.39Å; N246-S249 VanDerWaalsContact O-CB 3.23Å; N246-S249 WeakPolarHBondContact O-CB 3.19Å; N246-S249 PolarHBondContact O-N 3.14Å; N246-S249 PolarHBondContact O-OG 3.47Å; N246-I265 PolarHBondContact N-O 3.13Å
247	N	65.8	Low	78.1	Confident	66 Å²	66	37 Å²	37	35%	0.353	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-62.1	-13.3	174.6	-60.4	-65.3	0	0	0	114.3	G245 R267	G245-N247 PolarHBondContact O-N 2.97Å; N247-R267 PolarHBondContact ND2-NH1 3.12Å
248	L	65.1	Low	77.9	Confident	31 Å²	31	39 Å²	39	16%	0.162	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-95	6.9	174.5	-64.1	170.9	0	0	0	112.6	Y225 G245 N246 I250 F264	Y225-L248 HydrophobicContact CE1-CD1 4.24Å; G245-L248 PolarHBondContact O-N 3.18Å; N246-L248 PolarHBondContact O-N 3.39Å; L248-I250 PolarHBondContact O-N 2.89Å; L248-F264 HydrophobicContact CB-CE1 4.38Å
249	S	64.1	Low	77.7	Confident	69 Å²	69	40 Å²	40	48%	0.483	23%	0.233	S	C	.	.			trans	-79.7	65.8	-177.7	73.1	0	0	0	0	112.4	N246	N246-S249 VanDerWaalsContact O-CB 3.23Å; N246-S249 WeakPolarHBondContact O-CB 3.19Å; N246-S249 PolarHBondContact O-N 3.14Å; N246-S249 PolarHBondContact O-OG 3.47Å
250	I	73.8	Confident	77.5	Confident	26 Å²	26	40 Å²	40	13%	0.133	23%	0.231	C	C	.	.			trans	-91.5	137.9	174.7	-28.5	174.1	0	0	0	108.4	L248 I252 L253 S254 E365 W367 I370	L248-I250 PolarHBondContact O-N 2.89Å; I250-I252 PolarHBondContact O-N 3Å; I250-L253 HydrophobicContact CB-CB 4.49Å; I250-L253 HydrophobicContact CD1-CD2 4.1Å; I250-L253 HydrophobicContact CG1-CD2 4.4Å; I250-L253 PolarHBondContact O-N 3.45Å; I250-L253 VanDerWaalsContact O-N 3.12Å; I250-S254 PolarHBondContact O-N 3.06Å; I250-S254 PolarHBondContact O-OG 3.29Å; I250-S254 VanDerWaalsContact O-OG 3.13Å; I250-E365 HydrophobicContact CD1-CB 4.47Å; I250-E365 WeakPolarHBondContact CD1-O 3.49Å; I250-W367 HydrophobicContact CB-CZ2 3.9Å; I250-W367 HydrophobicContact CG2-CD2 4.25Å; I250-W367 HydrophobicContact CG2-CG 3.99Å; I250-W367 HydrophobicContact CG2-CZ2 4.26Å; I250-W367 WeakPolarHBondContact O-CZ2 3.37Å; I250-I370 HydrophobicContact CD1-CD1 3.52Å
251	P	64.3	Low	77.1	Confident	91 Å²	91	40.1 Å²	40.1	59%	0.591	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	119.2	-172.5	-24.4	34	0	0	0	113.7	W367	P251-W367 WeakPolarHBondContact O-CZ2 3.39Å; P251-W367 PolarHBondContact O-NE1 3.14Å
252	I	72.6	Confident	76.9	Confident	115 Å²	115	40 Å²	40	59%	0.59	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	105.6	-43	-169.3	-60.6	158	0	0	0	112.4	I250 T255 V256 W367	I250-I252 PolarHBondContact O-N 3Å; I252-T255 WeakPolarHBondContact O-CB 3.19Å; I252-T255 PolarHBondContact O-N 3.36Å; I252-V256 WeakPolarHBondContact O-CG2 3.13Å; I252-V256 PolarHBondContact O-N 3.05Å; I252-W367 HydrophobicContact CB-CH2 3.41Å; I252-W367 VanDerWaalsContact CB-CH2 3.41Å; I252-W367 HydrophobicContact CB-CZ2 3.58Å; I252-W367 HydrophobicContact CB-CZ3 4.17Å; I252-W367 HydrophobicContact CG2-CH2 3.71Å; I252-W367 HydrophobicContact CG2-CZ2 4.39Å; I252-W367 HydrophobicContact CG2-CZ3 4.2Å
253	L	72.4	Confident	76.8	Confident	38 Å²	38	39.3 Å²	39.3	20%	0.199	23%	0.228	C	C	.	.	H	α-helix	trans	-80.1	-40.7	-175.9	-179.7	62.7	0	0	0	106.7	I250 T255 V256 I257 W367 I370	I250-L253 HydrophobicContact CB-CB 4.49Å; I250-L253 HydrophobicContact CD1-CD2 4.1Å; I250-L253 HydrophobicContact CG1-CD2 4.4Å; I250-L253 PolarHBondContact O-N 3.45Å; I250-L253 VanDerWaalsContact O-N 3.12Å; L253-T255 PolarHBondContact O-N 3.14Å; L253-V256 PolarHBondContact O-N 2.99Å; L253-I257 HydrophobicContact CD1-CD1 4.21Å; L253-I257 HydrophobicContact CD1-CG1 4.32Å; L253-I257 HydrophobicContact CD2-CD1 4.37Å; L253-I257 HydrophobicContact CG-CD1 3.75Å; L253-I257 HydrophobicContact CG-CG1 4.3Å; L253-I257 VanDerWaalsContact O-CB 3.31Å; L253-I257 WeakPolarHBondContact O-CB 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.5Å; L253-I257 PolarHBondContact O-N 3.1Å; L253-W367 VanDerWaalsContact CA-CH2 3.44Å; L253-W367 HydrophobicContact CB-CH2 3.23Å; L253-W367 HydrophobicContact CB-CZ2 3.37Å; L253-W367 HydrophobicContact CB-CZ3 4.26Å; L253-W367 HydrophobicContact CG-CH2 4.48Å; L253-I370 HydrophobicContact CD2-CD1 4.11Å
254	S	74.5	Confident	76.6	Confident	22 Å²	22	39 Å²	39	15%	0.154	22%	0.223	C	C	.	.	H	α-helix	trans	-54	-42	166.5	60.2	0	0	0	0	112	I250 R258	I250-S254 PolarHBondContact O-N 3.06Å; I250-S254 PolarHBondContact O-OG 3.29Å; I250-S254 VanDerWaalsContact O-OG 3.13Å; S254-R258 WeakPolarHBondContact O-CB 3.16Å; S254-R258 VanDerWaalsContact O-CG 3.27Å; S254-R258 WeakPolarHBondContact O-CG 2.96Å; S254-R258 PolarHBondContact O-N 3.31Å
255	T	78.8	Confident	76.7	Confident	78 Å²	78	39.7 Å²	39.7	48%	0.479	23%	0.226	S	C	.	.	H	α-helix	trans	-65.9	-48.7	176.1	-49.4	0	0	0	0	111.2	I252 L253 R258 K259	I252-T255 WeakPolarHBondContact O-CB 3.19Å; I252-T255 PolarHBondContact O-N 3.36Å; L253-T255 PolarHBondContact O-N 3.14Å; T255-R258 PolarHBondContact O-N 2.74Å; T255-K259 HydrophobicContact CG2-CG 4.47Å; T255-K259 WeakPolarHBondContact O-CB 3.27Å; T255-K259 VanDerWaalsContact O-CG 3.31Å; T255-K259 WeakPolarHBondContact O-CG 3.27Å; T255-K259 PolarHBondContact O-N 3.25Å
256	V	77.4	Confident	76.6	Confident	39 Å²	39	41.8 Å²	41.8	24%	0.236	23%	0.227	C	C	.	.	H	α-helix	trans	-56.2	-53.1	176.9	170.5	0	0	0	0	110.3	F173 I252 L253 R258 K259 L260	F173-V256 HydrophobicContact CE1-CB 3.99Å; F173-V256 HydrophobicContact CE1-CG1 3.82Å; F173-V256 HydrophobicContact CE1-CG2 4.11Å; F173-V256 HydrophobicContact CZ-CB 4.09Å; F173-V256 HydrophobicContact CZ-CG1 4.21Å; F173-V256 HydrophobicContact CZ-CG2 3.68Å; I252-V256 WeakPolarHBondContact O-CG2 3.13Å; I252-V256 PolarHBondContact O-N 3.05Å; L253-V256 PolarHBondContact O-N 2.99Å; V256-R258 VanDerWaalsContact C-N 3.35Å; V256-R258 PolarHBondContact O-N 3.1Å; V256-K259 CarbonylContact O-C 3.46Å; V256-K259 WeakPolarHBondContact O-CA 3.31Å; V256-K259 WeakPolarHBondContact O-CB 3.41Å; V256-K259 PolarHBondContact O-N 2.99Å; V256-L260 HydrophobicContact CG1-CD1 3.84Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.25Å; V256-L260 PolarHBondContact O-N 3.37Å
257	I	81.1	Confident	76	Confident	15 Å²	15	43.6 Å²	43.6	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-56.9	-47	-179.9	-70.7	169.9	0	0	0	110.6	A244 L253 K259 L260 G261 G262 F264	A244-I257 HydrophobicContact CB-CG2 4.39Å; L253-I257 HydrophobicContact CD1-CD1 4.21Å; L253-I257 HydrophobicContact CD1-CG1 4.32Å; L253-I257 HydrophobicContact CD2-CD1 4.37Å; L253-I257 HydrophobicContact CG-CD1 3.75Å; L253-I257 HydrophobicContact CG-CG1 4.3Å; L253-I257 VanDerWaalsContact O-CB 3.31Å; L253-I257 WeakPolarHBondContact O-CB 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.5Å; L253-I257 PolarHBondContact O-N 3.1Å; I257-K259 VanDerWaalsContact C-N 3.32Å; I257-K259 PolarHBondContact O-N 3.24Å; I257-L260 PolarHBondContact O-N 2.99Å; I257-L260 VanDerWaalsContact O-N 3.13Å; I257-G261 PolarHBondContact O-N 3.15Å; I257-G262 WeakPolarHBondContact O-CA 3.42Å; I257-G262 PolarHBondContact O-N 3.09Å; I257-F264 HydrophobicContact CB-CE2 4.43Å; I257-F264 HydrophobicContact CB-CZ 4.08Å; I257-F264 HydrophobicContact CD1-CZ 4.14Å; I257-F264 HydrophobicContact CG2-CE2 4.06Å; I257-F264 HydrophobicContact CG2-CZ 3.81Å
258	R	83.3	Confident	75.5	Confident	50 Å²	50	50.7 Å²	50.7	19%	0.189	25%	0.251	C	S	.	.	H	α-helix	trans	-61.7	-39.9	175.7	-73.2	177.4	-160.6	-76	-1.1	112.7	E164 M165 V166 N168 S254 T255 V256 L260 G261 G262 F264	E164-R258 VanDerWaalsContact C-NH1 3.29Å; E164-R258 PolarHBondContact O-NH1 2.97Å; E164-R258 PolarHBondContact O-NH2 2.9Å; M165-R258 PolarHBondContact O-NH1 3.09Å; V166-R258 PolarHBondContact O-NH1 3.4Å; V166-R258 VanDerWaalsContact O-NH1 3.1Å; N168-R258 CarbonylContact C-O 3.35Å; N168-R258 PolarHBondContact N-O 2.87Å; S254-R258 WeakPolarHBondContact O-CB 3.16Å; S254-R258 VanDerWaalsContact O-CG 3.27Å; S254-R258 WeakPolarHBondContact O-CG 2.96Å; S254-R258 PolarHBondContact O-N 3.31Å; T255-R258 PolarHBondContact O-N 2.74Å; V256-R258 VanDerWaalsContact C-N 3.35Å; V256-R258 PolarHBondContact O-N 3.1Å; R258-L260 PolarHBondContact O-N 2.8Å; R258-G261 PolarHBondContact O-N 2.91Å; R258-G262 WeakPolarHBondContact CA-O 3.44Å; R258-F264 HydrophobicContact CG-CD2 4.3Å; R258-F264 HydrophobicContact CG-CE2 3.95Å; R258-F264 VanDerWaalsContact CZ-CD2 3.45Å; R258-F264 VanDerWaalsContact NH2-CD2 3.34Å
259	K	83.7	Confident	74.9	Confident	53 Å²	53	52.7 Å²	52.7	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-21.1	177.7	-71.2	-43.3	-163.8	176.8	0	113.1	N168 V169 S170 F173 T255 V256 I257	N168-K259 VanDerWaalsContact CG-NZ 3.32Å; N168-K259 PolarHBondContact ND2-NZ 3.16Å; N168-K259 WeakPolarHBondContact O-CA 3.19Å; N168-K259 WeakPolarHBondContact O-CD 3.41Å; N168-K259 PolarHBondContact OD1-NZ 2.88Å; V169-K259 WeakPolarHBondContact CA-O 3.34Å; S170-K259 PolarHBondContact N-O 2.87Å; F173-K259 HydrophobicContact CB-CB 4.19Å; F173-K259 HydrophobicContact CD1-CB 3.32Å; F173-K259 HydrophobicContact CD1-CG 4.15Å; F173-K259 HydrophobicContact CE1-CB 3.75Å; F173-K259 HydrophobicContact CE1-CG 4.42Å; F173-K259 HydrophobicContact CG-CB 3.78Å; F173-K259 HydrophobicContact CG-CG 4.23Å; T255-K259 HydrophobicContact CG2-CG 4.47Å; T255-K259 WeakPolarHBondContact O-CB 3.27Å; T255-K259 VanDerWaalsContact O-CG 3.31Å; T255-K259 WeakPolarHBondContact O-CG 3.27Å; T255-K259 PolarHBondContact O-N 3.25Å; V256-K259 CarbonylContact O-C 3.46Å; V256-K259 WeakPolarHBondContact O-CA 3.31Å; V256-K259 WeakPolarHBondContact O-CB 3.41Å; V256-K259 PolarHBondContact O-N 2.99Å; I257-K259 VanDerWaalsContact C-N 3.32Å; I257-K259 PolarHBondContact O-N 3.24Å
260	L	81.1	Confident	73.8	Confident	18 Å²	18	55.5 Å²	55.5	9%	0.094	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.6	178	-63.2	173.1	0	0	0	114.3	F173 I174 T177 V256 I257 R258	F173-L260 HydrophobicContact CD1-CD2 4.11Å; F173-L260 HydrophobicContact CD1-CG 4.35Å; F173-L260 HydrophobicContact CE1-CG 4.44Å; I174-L260 HydrophobicContact CG1-CD2 4.04Å; T177-L260 HydrophobicContact CG2-CD1 3.71Å; T177-L260 HydrophobicContact CG2-CD2 3.98Å; T177-L260 HydrophobicContact CG2-CG 4.45Å; V256-L260 HydrophobicContact CG1-CD1 3.84Å; V256-L260 VanDerWaalsContact O-CG 3.28Å; V256-L260 WeakPolarHBondContact O-CG 3.25Å; V256-L260 PolarHBondContact O-N 3.37Å; I257-L260 PolarHBondContact O-N 2.99Å; I257-L260 VanDerWaalsContact O-N 3.13Å; R258-L260 PolarHBondContact O-N 2.8Å
261	G	82.2	Confident	72.5	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.031	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.6	0.2	-178.6	0	0	0	0	0	115.1	H241 I242 I257 R258	H241-G261 WeakPolarHBondContact CA-O 3.29Å; H241-G261 WeakPolarHBondContact CB-O 3.33Å; H241-G261 PolarHBondContact CD2-O 2.82Å; I242-G261 PolarHBondContact N-O 3.35Å; I257-G261 PolarHBondContact O-N 3.15Å; R258-G261 PolarHBondContact O-N 2.91Å
262	G	86.3	Confident	71.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.281	C	S	.	.			trans	-74.4	133.2	176.1	0	0	0	0	0	112.6	I242 I257 R258	I242-G262 CarbonylContact O-C 3.52Å; I242-G262 WeakPolarHBondContact O-CA 3.42Å; I257-G262 WeakPolarHBondContact O-CA 3.42Å; I257-G262 PolarHBondContact O-N 3.09Å; R258-G262 WeakPolarHBondContact CA-O 3.44Å
263	F	88.3	Confident	70.6	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.2	172.7	68	-85.3	0	0	0	110	M165 H241 I242 A243 A244 I265 L285 Y288 L292 M320	M165-F263 WeakPolarHBondContact O-CA 3.14Å; M165-F263 WeakPolarHBondContact O-CB 3.49Å; H241-F263 HydrophobicContact CB-CD1 4.14Å; H241-F263 HydrophobicContact CB-CE1 4.17Å; I242-F263 VanDerWaalsContact O-CD1 3.29Å; I242-F263 WeakPolarHBondContact O-CD1 3.39Å; I242-F263 PolarHBondContact O-N 2.88Å; A243-F263 HydrophobicContact CB-CE1 4.16Å; A243-F263 HydrophobicContact CB-CE2 4.32Å; A243-F263 HydrophobicContact CB-CZ 3.76Å; A244-F263 PolarHBondContact N-O 3.3Å; F263-I265 HydrophobicContact CD2-CD1 4.29Å; F263-I265 HydrophobicContact CD2-CG1 3.92Å; F263-I265 HydrophobicContact CE2-CD1 3.56Å; F263-I265 HydrophobicContact CE2-CG1 3.69Å; F263-I265 HydrophobicContact CZ-CD1 4.18Å; F263-L285 HydrophobicContact CE2-CD1 4.14Å; F263-Y288 HydrophobicContact CB-CE1 3.88Å; F263-Y288 HydrophobicContact CD1-CE1 4.07Å; F263-Y288 HydrophobicContact CD2-CD1 4.21Å; F263-Y288 AromaticContact CD2-CE1 3.64Å; F263-Y288 HydrophobicContact CD2-CE1 3.64Å; F263-Y288 HydrophobicContact CE1-CE1 4.5Å; F263-Y288 HydrophobicContact CE2-CD1 4.42Å; F263-Y288 HydrophobicContact CE2-CE1 4.1Å; F263-Y288 AromaticContact CG-CE1 3.61Å; F263-Y288 HydrophobicContact CG-CE1 3.61Å; F263-L292 HydrophobicContact CE1-CD1 4.42Å; F263-M320 HydrophobicContact CE2-CE 4.27Å; F263-M320 HydrophobicContact CZ-CE 4.06Å
264	F	84.6	Confident	69.3	Low	10 Å²	10	61.4 Å²	61.4	4%	0.044	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128	-170.6	-73.8	-84.1	0	0	0	112.3	M165 A244 L248 I257 R258	M165-F264 PolarHBondContact O-N 2.91Å; M165-F264 VanDerWaalsContact O-N 3.1Å; A244-F264 HydrophobicContact CB-CD1 4.14Å; A244-F264 HydrophobicContact CB-CE1 4.13Å; A244-F264 CarbonylContact O-C 3.53Å; A244-F264 WeakPolarHBondContact O-CA 3.47Å; L248-F264 HydrophobicContact CB-CE1 4.38Å; I257-F264 HydrophobicContact CB-CE2 4.43Å; I257-F264 HydrophobicContact CB-CZ 4.08Å; I257-F264 HydrophobicContact CD1-CZ 4.14Å; I257-F264 HydrophobicContact CG2-CE2 4.06Å; I257-F264 HydrophobicContact CG2-CZ 3.81Å; R258-F264 HydrophobicContact CG-CD2 4.3Å; R258-F264 HydrophobicContact CG-CE2 3.95Å; R258-F264 VanDerWaalsContact CZ-CD2 3.45Å; R258-F264 VanDerWaalsContact NH2-CD2 3.34Å
265	I	82.8	Confident	68.1	Low	25 Å²	25	62 Å²	62	13%	0.128	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.7	178.1	-50.1	-179.5	0	0	0	110.1	A243 A244 N246 F263 Y281 L285 M320	A243-I265 HydrophobicContact CB-CD1 3.62Å; A244-I265 PolarHBondContact O-N 3.04Å; N246-I265 PolarHBondContact N-O 3.13Å; F263-I265 HydrophobicContact CD2-CD1 4.29Å; F263-I265 HydrophobicContact CD2-CG1 3.92Å; F263-I265 HydrophobicContact CE2-CD1 3.56Å; F263-I265 HydrophobicContact CE2-CG1 3.69Å; F263-I265 HydrophobicContact CZ-CD1 4.18Å; I265-Y281 VanDerWaalsContact CA-OH 3.29Å; I265-Y281 WeakPolarHBondContact CA-OH 3.48Å; I265-L285 HydrophobicContact CD1-CD1 4.36Å; I265-L285 HydrophobicContact CG1-CD1 4.27Å; I265-L285 HydrophobicContact CG2-CD2 4.09Å; I265-M320 HydrophobicContact CD1-CE 4.16Å; I265-M320 HydrophobicContact CD1-CG 4.06Å; I265-M320 HydrophobicContact CD1-SD 3.54Å; I265-M320 VanDerWaalsContact CD1-SD 3.54Å
266	R	75.9	Confident	67	Low	67 Å²	67	64.3 Å²	64.3	25%	0.253	32%	0.317	S	S	.	.			trans	-77.2	125.6	174.8	-63.8	-179.4	179.8	177.5	-1.1	109.9	E164 D278 Y281	E164-R266 IonicContact OE2-NH2 3.89Å; R266-D278 IonicContact NH1-OD2 3.78Å; R266-Y281 HydrophobicContact CB-CE1 4.13Å; R266-Y281 HydrophobicContact CG-CE1 4.4Å; R266-Y281 HydrophobicContact CG-CE2 3.93Å; R266-Y281 PolarHBondContact N-OH 3.21Å
267	R	58.8	Low	66.3	Low	100 Å²	100	69.2 Å²	69.2	38%	0.377	34%	0.335	S	S	.	.	S	Bend	trans	-74	-37.8	-172.4	-148.7	-170.3	-142.6	137.4	8.9	113.7	N247 G305	N247-R267 PolarHBondContact ND2-NH1 3.12Å; R267-G305 PolarHBondContact NE-O 3.35Å; R267-G305 PolarHBondContact NH2-O 3.34Å
268	R	54.3	Low	66.1	Low	215 Å²	215	70.6 Å²	70.6	81%	0.811	34%	0.342	S	S	*	.	S	Bend	trans	-97.1	121	159.5	-95.6	-179.6	-178.9	165.6	-0.7	105.5	E270	R268-E270 HydrophobicContact CB-CG 4.45Å; R268-E270 PolarHBondContact O-N 2.83Å
269	M	52.3	Low	66.2	Low	72 Å²	72	72.5 Å²	72.5	36%	0.355	36%	0.355	S	S	.	.			trans	-67.2	86.5	157.9	-62	176.6	172.4	0	0	104.3	E271 R282	M269-E271 PolarHBondContact O-N 3.29Å; M269-E271 VanDerWaalsContact O-N 3.13Å; M269-R282 HydrophobicContact SD-CG 4.14Å; M269-R282 PolarHBondContact SD-NE 2.81Å; M269-R282 PolarHBondContact SD-NH2 2.78Å
270	E	41.2	Very low	66.3	Low	129 Å²	129	71 Å²	71	60%	0.603	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-47.3	124.7	-174.2	-77.8	175.9	170.4	0	0	108.7	R268 T272	R268-E270 HydrophobicContact CB-CG 4.45Å; R268-E270 PolarHBondContact O-N 2.83Å; E270-T272 PolarHBondContact O-N 3.17Å
271	E	47.3	Very low	66.6	Low	127 Å²	127	70.2 Å²	70.2	59%	0.593	35%	0.345	S	S	*	.	B	Isolated β-bridge	trans	-59.6	121.8	151.5	-74.4	167.3	-170.5	0	0	104.6	M269 K276	M269-E271 PolarHBondContact O-N 3.29Å; M269-E271 VanDerWaalsContact O-N 3.13Å; E271-K276 WeakPolarHBondContact CA-O 3.47Å
272	T	50.9	Low	66.8	Low	74 Å²	74	73.5 Å²	73.5	45%	0.454	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-52.4	166	168.6	-19.7	0	0	0	0	108.6	E270 D274 G275 K276	E270-T272 PolarHBondContact O-N 3.17Å; T272-D274 PolarHBondContact O-N 3.44Å; T272-G275 PolarHBondContact O-N 2.89Å; T272-K276 PolarHBondContact N-O 2.96Å; T272-K276 PolarHBondContact OG1-O 3.04Å
273	A	45.2	Very low	67	Low	80 Å²	80	73.7 Å²	73.7	66%	0.661	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	-26.1	179.3	0	0	0	0	0	113.8	R789	A273-R789 PolarHBondContact O-NH1 3.25Å; A273-R789 PolarHBondContact O-NH2 3.34Å
274	D	45.2	Very low	67.2	Low	113 Å²	113	73.7 Å²	73.7	60%	0.604	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	7.1	-179.8	-42.6	-50	0	0	0	116	T272 K276	T272-D274 PolarHBondContact O-N 3.44Å; D274-K276 VanDerWaalsContact C-N 3.28Å; D274-K276 PolarHBondContact O-N 3.41Å
275	G	50.5	Low	67.5	Low	35 Å²	35	73.4 Å²	73.4	36%	0.361	36%	0.357	S	S	.	.	S	Bend	trans	79.9	-0	177.9	0	0	0	0	0	115.3	T272	T272-G275 PolarHBondContact O-N 2.89Å
276	K	55.3	Low	67.9	Low	126 Å²	126	72.9 Å²	72.9	55%	0.548	35%	0.354	S	S	.	.			trans	-84.3	138.5	179	-73.3	179.4	-178.3	170.2	0	111.3	E271 T272 D274 D278	E271-K276 WeakPolarHBondContact CA-O 3.47Å; T272-K276 PolarHBondContact N-O 2.96Å; T272-K276 PolarHBondContact OG1-O 3.04Å; D274-K276 VanDerWaalsContact C-N 3.28Å; D274-K276 PolarHBondContact O-N 3.41Å; K276-D278 PolarHBondContact O-N 2.99Å
277	K	62.3	Low	68.8	Low	141 Å²	141	69.8 Å²	69.8	61%	0.613	34%	0.343	S	S	*	.	B	Isolated β-bridge	trans	-60.1	130.7	173.1	-80.4	178.9	-176.4	171.3	0	109.7	I279	K277-I279 VanDerWaalsContact C-N 3.35Å; K277-I279 WeakPolarHBondContact O-CG1 3.31Å; K277-I279 PolarHBondContact O-N 3.28Å
278	D	77.3	Confident	70.4	Confident	44 Å²	44	65.1 Å²	65.1	24%	0.235	33%	0.325	C	S	.	.			trans	-61.9	94.6	170.5	-172.5	-15	0	0	0	110.5	R266 K276 L280 Y281 R282	R266-D278 IonicContact NH1-OD2 3.78Å; K276-D278 PolarHBondContact O-N 2.99Å; D278-L280 PolarHBondContact OD1-N 3.37Å; D278-Y281 WeakPolarHBondContact OD1-CB 3.35Å; D278-Y281 PolarHBondContact OD1-N 3.48Å; D278-Y281 VanDerWaalsContact OD2-CB 3.24Å; D278-Y281 WeakPolarHBondContact OD2-CB 3.44Å; D278-R282 WeakPolarHBondContact O-CG 2.8Å; D278-R282 PolarHBondContact O-N 3.11Å
279	I	84	Confident	72.3	Confident	91 Å²	91	54.9 Å²	54.9	47%	0.467	29%	0.286	S	S	.	.	H	α-helix	trans	-70	-38	-176	-51	-176.8	0	0	0	109.7	T135 K277 R282 S283	T135-I279 HydrophobicContact CG2-CG2 3.94Å; K277-I279 VanDerWaalsContact C-N 3.35Å; K277-I279 WeakPolarHBondContact O-CG1 3.31Å; K277-I279 PolarHBondContact O-N 3.28Å; I279-R282 PolarHBondContact O-N 2.88Å; I279-S283 WeakPolarHBondContact O-CB 3.28Å; I279-S283 PolarHBondContact O-N 2.92Å
280	L	86.6	Confident	74.3	Confident	20 Å²	20	52.6 Å²	52.6	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-64.1	-50.4	-179.3	-177.9	62.1	0	0	0	110.7	T135 I136 V139 V154 A158 D278 R282 S283 L284	T135-L280 HydrophobicContact CG2-CD1 4.4Å; I136-L280 HydrophobicContact CG1-CD1 3.98Å; V139-L280 HydrophobicContact CG2-CB 4.48Å; V154-L280 HydrophobicContact CG1-CD2 4.37Å; A158-L280 HydrophobicContact CB-CD1 4.23Å; A158-L280 HydrophobicContact CB-CD2 4.37Å; D278-L280 PolarHBondContact OD1-N 3.37Å; L280-R282 PolarHBondContact O-N 3.4Å; L280-S283 PolarHBondContact O-N 3.46Å; L280-L284 HydrophobicContact CD1-CD1 4.37Å; L280-L284 HydrophobicContact CD1-CG 4.48Å; L280-L284 HydrophobicContact CG-CD1 4.12Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3.35Å
281	Y	87.3	Confident	76.8	Confident	3 Å²	3	47 Å²	47	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-44	178.4	178	-97.6	0	0	0	112.5	V161 M165 I265 R266 D278 S283 L284 L285	V161-Y281 HydrophobicContact CG1-CD2 3.83Å; V161-Y281 HydrophobicContact CG1-CE2 4.42Å; M165-Y281 HydrophobicContact CE-CE2 3.93Å; M165-Y281 HydrophobicContact CG-CE2 4.1Å; M165-Y281 HydrophobicContact SD-CD2 3.86Å; M165-Y281 HydrophobicContact SD-CE2 3.35Å; M165-Y281 WeakPolarHBondContact SD-CE2 3.44Å; I265-Y281 VanDerWaalsContact CA-OH 3.29Å; I265-Y281 WeakPolarHBondContact CA-OH 3.48Å; R266-Y281 HydrophobicContact CB-CE1 4.13Å; R266-Y281 HydrophobicContact CG-CE1 4.4Å; R266-Y281 HydrophobicContact CG-CE2 3.93Å; R266-Y281 PolarHBondContact N-OH 3.21Å; D278-Y281 WeakPolarHBondContact OD1-CB 3.35Å; D278-Y281 PolarHBondContact OD1-N 3.48Å; D278-Y281 VanDerWaalsContact OD2-CB 3.24Å; D278-Y281 WeakPolarHBondContact OD2-CB 3.44Å; Y281-S283 VanDerWaalsContact C-N 3.33Å; Y281-S283 PolarHBondContact O-N 3.18Å; Y281-L284 PolarHBondContact O-N 3.25Å; Y281-L285 HydrophobicContact CE1-CD2 4.22Å; Y281-L285 WeakPolarHBondContact O-CB 3.29Å; Y281-L285 PolarHBondContact O-N 2.97Å
282	R	87.2	Confident	79	Confident	71 Å²	71	41 Å²	41	27%	0.268	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-42.4	177	-78.8	-179.9	167.1	87.6	-6.7	112	M269 D278 I279 L280 H286	M269-R282 HydrophobicContact SD-CG 4.14Å; M269-R282 PolarHBondContact SD-NE 2.81Å; M269-R282 PolarHBondContact SD-NH2 2.78Å; D278-R282 WeakPolarHBondContact O-CG 2.8Å; D278-R282 PolarHBondContact O-N 3.11Å; I279-R282 PolarHBondContact O-N 2.88Å; L280-R282 PolarHBondContact O-N 3.4Å; R282-H286 WeakPolarHBondContact O-CB 3.5Å; R282-H286 PolarHBondContact O-N 3.46Å
283	S	90.3	Very high	81	Confident	5 Å²	5	37.5 Å²	37.5	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-63.8	-46.1	177.4	-163.9	0	0	0	0	111.2	T135 I279 L280 Y281 H286 T287	T135-S283 WeakPolarHBondContact OG1-CB 3.43Å; T135-S283 PolarHBondContact OG1-OG 3.29Å; I279-S283 WeakPolarHBondContact O-CB 3.28Å; I279-S283 PolarHBondContact O-N 2.92Å; L280-S283 PolarHBondContact O-N 3.46Å; Y281-S283 VanDerWaalsContact C-N 3.33Å; Y281-S283 PolarHBondContact O-N 3.18Å; S283-H286 PolarHBondContact O-N 2.94Å; S283-T287 PolarHBondContact O-N 3.15Å; S283-T287 PolarHBondContact O-OG1 3.23Å
284	L	91.9	Very high	83.3	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-45.4	176.4	-70.1	171.2	0	0	0	112.8	V126 V132 A158 V161 L280 Y281 Y288	V126-L284 HydrophobicContact CG1-CD2 4.1Å; V132-L284 HydrophobicContact CG1-CD2 3.78Å; V132-L284 HydrophobicContact CG2-CD2 4.24Å; A158-L284 HydrophobicContact CB-CD1 4.11Å; A158-L284 HydrophobicContact CB-CD2 4.36Å; V161-L284 HydrophobicContact CB-CD1 4.2Å; V161-L284 HydrophobicContact CG1-CD1 3.98Å; L280-L284 HydrophobicContact CD1-CD1 4.37Å; L280-L284 HydrophobicContact CD1-CG 4.48Å; L280-L284 HydrophobicContact CG-CD1 4.12Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3.35Å; Y281-L284 PolarHBondContact O-N 3.25Å; L284-Y288 WeakPolarHBondContact O-CB 3.36Å; L284-Y288 PolarHBondContact O-N 2.95Å
285	L	91.2	Very high	85.5	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-42.3	178.2	179.3	62.2	0	0	0	111.9	M165 F263 I265 Y281 T289 M320 I323	M165-L285 HydrophobicContact CE-CB 3.8Å; M165-L285 HydrophobicContact CE-CD1 3.62Å; M165-L285 HydrophobicContact CE-CG 4.29Å; F263-L285 HydrophobicContact CE2-CD1 4.14Å; I265-L285 HydrophobicContact CD1-CD1 4.36Å; I265-L285 HydrophobicContact CG1-CD1 4.27Å; I265-L285 HydrophobicContact CG2-CD2 4.09Å; Y281-L285 HydrophobicContact CE1-CD2 4.22Å; Y281-L285 WeakPolarHBondContact O-CB 3.29Å; Y281-L285 PolarHBondContact O-N 2.97Å; L285-T289 WeakPolarHBondContact O-CB 3.43Å; L285-T289 PolarHBondContact O-N 3.15Å; L285-T289 PolarHBondContact O-OG1 3.39Å; L285-M320 HydrophobicContact CD1-SD 4.35Å; L285-M320 HydrophobicContact CD2-SD 4.15Å; L285-M320 HydrophobicContact CG-SD 4.46Å; L285-I323 HydrophobicContact CD2-CD1 4.28Å; L285-I323 HydrophobicContact CG-CD1 4.08Å
286	H	92.1	Very high	87.5	Confident	14 Å²	14	39.1 Å²	39.1	7%	0.065	18%	0.175	C	C	.	.	H	α-helix	trans	-60.2	-57.2	177.1	-175.9	-68.4	0	0	0	110.6	R282 S283 Y288 T289 E290 I323	R282-H286 WeakPolarHBondContact O-CB 3.5Å; R282-H286 PolarHBondContact O-N 3.46Å; S283-H286 PolarHBondContact O-N 2.94Å; H286-Y288 VanDerWaalsContact C-N 3.31Å; H286-Y288 PolarHBondContact O-N 3.17Å; H286-T289 PolarHBondContact O-N 2.93Å; H286-E290 IonicContact CE1-OE2 3.74Å; H286-E290 IonicContact ND1-OE2 3.73Å; H286-E290 WeakPolarHBondContact O-CB 3.06Å; H286-E290 PolarHBondContact O-N 3.21Å; H286-I323 HydrophobicContact CB-CG2 4.46Å
287	T	93.6	Very high	89.2	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.012	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-34.7	-178	-59	0	0	0	0	112.2	V126 S129 V132 S283 E291	V126-T287 HydrophobicContact CB-CG2 4.24Å; V126-T287 HydrophobicContact CG1-CG2 3.94Å; V126-T287 HydrophobicContact CG2-CG2 4.22Å; S129-T287 VanDerWaalsContact CB-CG2 3.47Å; V132-T287 HydrophobicContact CG2-CG2 3.94Å; S283-T287 PolarHBondContact O-N 3.15Å; S283-T287 PolarHBondContact O-OG1 3.23Å; T287-E291 WeakPolarHBondContact O-CB 3.33Å; T287-E291 PolarHBondContact O-N 3.41Å
288	Y	93.6	Very high	90.7	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-48.6	173.4	173.8	-105	0	0	0	111.9	V122 V126 L162 V166 A167 F263 L284 H286 E291 L292	V122-Y288 HydrophobicContact CG1-CD2 3.49Å; V122-Y288 VanDerWaalsContact CG1-CD2 3.49Å; V122-Y288 HydrophobicContact CG1-CE2 3.57Å; V126-Y288 HydrophobicContact CG2-CD2 4.49Å; L162-Y288 HydrophobicContact CD1-CD2 4.35Å; V166-Y288 HydrophobicContact CB-CE2 4.29Å; V166-Y288 HydrophobicContact CG1-CE2 4.33Å; V166-Y288 HydrophobicContact CG2-CD2 3.91Å; V166-Y288 HydrophobicContact CG2-CE2 3.61Å; A167-Y288 PolarHBondContact N-OH 3.46Å; F263-Y288 HydrophobicContact CB-CE1 3.88Å; F263-Y288 HydrophobicContact CD1-CE1 4.07Å; F263-Y288 HydrophobicContact CD2-CD1 4.21Å; F263-Y288 AromaticContact CD2-CE1 3.64Å; F263-Y288 HydrophobicContact CD2-CE1 3.64Å; F263-Y288 HydrophobicContact CE1-CE1 4.5Å; F263-Y288 HydrophobicContact CE2-CD1 4.42Å; F263-Y288 HydrophobicContact CE2-CE1 4.1Å; F263-Y288 AromaticContact CG-CE1 3.61Å; F263-Y288 HydrophobicContact CG-CE1 3.61Å; L284-Y288 WeakPolarHBondContact O-CB 3.36Å; L284-Y288 PolarHBondContact O-N 2.95Å; H286-Y288 VanDerWaalsContact C-N 3.31Å; H286-Y288 PolarHBondContact O-N 3.17Å; Y288-E291 PolarHBondContact O-N 3.02Å; Y288-L292 HydrophobicContact CD1-CD1 4.22Å; Y288-L292 HydrophobicContact CE1-CD1 3.57Å; Y288-L292 HydrophobicContact CE1-CG 4.16Å; Y288-L292 HydrophobicContact CE2-CD2 4.17Å; Y288-L292 HydrophobicContact CE2-CG 4.36Å; Y288-L292 WeakPolarHBondContact O-CG 3.45Å; Y288-L292 PolarHBondContact O-N 3.28Å
289	T	93.4	Very high	91.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66	-42	-179.7	-52	0	0	0	0	111.2	L285 H286 E291 L292 L293 L299 M320 I323	L285-T289 WeakPolarHBondContact O-CB 3.43Å; L285-T289 PolarHBondContact O-N 3.15Å; L285-T289 PolarHBondContact O-OG1 3.39Å; H286-T289 PolarHBondContact O-N 2.93Å; T289-E291 VanDerWaalsContact C-N 3.32Å; T289-E291 PolarHBondContact O-N 3.3Å; T289-L292 WeakPolarHBondContact O-CB 3.16Å; T289-L292 PolarHBondContact O-N 2.88Å; T289-L293 HydrophobicContact CG2-CD1 4.44Å; T289-L293 WeakPolarHBondContact O-CG 3.41Å; T289-L293 PolarHBondContact O-N 3.45Å; T289-L299 HydrophobicContact CG2-CD1 3.9Å; T289-M320 HydrophobicContact CG2-CE 4.06Å; T289-I323 HydrophobicContact CG2-CG2 3.94Å
290	E	94.1	Very high	92	Very high	24 Å²	24	20.8 Å²	20.8	11%	0.112	9%	0.09	C	C	.	.	H	α-helix	trans	-55.9	-45.7	172.8	173.2	-176.8	155.9	0	0	111.6	H286 L292 L293 R294 T327 A332	H286-E290 IonicContact CE1-OE2 3.74Å; H286-E290 IonicContact ND1-OE2 3.73Å; H286-E290 WeakPolarHBondContact O-CB 3.06Å; H286-E290 PolarHBondContact O-N 3.21Å; E290-L292 PolarHBondContact O-N 3.36Å; E290-L293 PolarHBondContact O-N 3.25Å; E290-R294 WeakPolarHBondContact O-CB 3.21Å; E290-R294 PolarHBondContact O-N 3.35Å; E290-R294 IonicContact OE1-CZ 3.58Å; E290-R294 IonicContact OE1-NH1 2.87Å; E290-R294 IonicContact OE1-NH2 3.61Å; E290-R294 PolarHBondContact OE1-NH2 3.02Å; E290-T327 HydrophobicContact CB-CG2 4.2Å; E290-T327 HydrophobicContact CG-CG2 3.87Å; E290-A332 HydrophobicContact CG-CB 4.37Å
291	E	93.7	Very high	92.3	Very high	13 Å²	13	20.4 Å²	20.4	6%	0.061	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-36.8	178.1	-175.2	60.2	-165	0	0	112.3	V122 N125 V126 T287 Y288 T289 R294 Q295	V122-E291 HydrophobicContact CG1-CB 4.44Å; V122-E291 HydrophobicContact CG1-CG 4.05Å; N125-E291 HydrophobicContact CB-CG 4.21Å; N125-E291 PolarHBondContact ND2-OE1 3.4Å; V126-E291 HydrophobicContact CG2-CB 4.2Å; T287-E291 WeakPolarHBondContact O-CB 3.33Å; T287-E291 PolarHBondContact O-N 3.41Å; Y288-E291 PolarHBondContact O-N 3.02Å; T289-E291 VanDerWaalsContact C-N 3.32Å; T289-E291 PolarHBondContact O-N 3.3Å; E291-R294 PolarHBondContact O-N 3.34Å; E291-R294 IonicContact OE2-CZ 3.68Å; E291-R294 IonicContact OE2-NH1 2.82Å; E291-R294 PolarHBondContact OE2-NH1 3.05Å; E291-Q295 WeakPolarHBondContact O-CG 3.36Å; E291-Q295 PolarHBondContact O-N 3.17Å; E291-Q295 PolarHBondContact OE1-NE2 3.49Å
292	L	93.3	Very high	92.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-45	172.2	-65.9	-174.8	0	0	0	111.4	T119 H241 F263 Y288 T289 E290 Q295 Q296 Q297 L299	T119-L292 HydrophobicContact CG2-CD2 3.62Å; H241-L292 HydrophobicContact CB-CD1 4.14Å; F263-L292 HydrophobicContact CE1-CD1 4.42Å; Y288-L292 HydrophobicContact CD1-CD1 4.22Å; Y288-L292 HydrophobicContact CE1-CD1 3.57Å; Y288-L292 HydrophobicContact CE1-CG 4.16Å; Y288-L292 HydrophobicContact CE2-CD2 4.17Å; Y288-L292 HydrophobicContact CE2-CG 4.36Å; Y288-L292 WeakPolarHBondContact O-CG 3.45Å; Y288-L292 PolarHBondContact O-N 3.28Å; T289-L292 WeakPolarHBondContact O-CB 3.16Å; T289-L292 PolarHBondContact O-N 2.88Å; E290-L292 PolarHBondContact O-N 3.36Å; L292-Q295 CarbonylContact O-C 3.57Å; L292-Q295 PolarHBondContact O-N 3.04Å; L292-Q296 PolarHBondContact O-N 2.84Å; L292-Q297 HydrophobicContact CB-CB 4.23Å; L292-Q297 HydrophobicContact CB-CG 4.48Å; L292-Q297 HydrophobicContact CD2-CG 4.4Å; L292-Q297 VanDerWaalsContact O-CB 3.24Å; L292-Q297 WeakPolarHBondContact O-CB 3.25Å; L292-Q297 VanDerWaalsContact O-CG 3.29Å; L292-Q297 WeakPolarHBondContact O-CG 3.5Å; L292-Q297 PolarHBondContact O-N 3.18Å; L292-L299 HydrophobicContact CB-CD2 4.2Å; L292-L299 HydrophobicContact CD1-CD2 3.68Å
293	L	93.7	Very high	92.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-66.7	-41.1	179.4	-66.8	172.1	0	0	0	111.5	P212 I214 T289 E290 Q295 Q296 L299 V324 T327 I333	P212-L293 HydrophobicContact CB-CD2 3.9Å; P212-L293 HydrophobicContact CG-CD2 4.33Å; I214-L293 HydrophobicContact CD1-CD2 4.32Å; T289-L293 HydrophobicContact CG2-CD1 4.44Å; T289-L293 WeakPolarHBondContact O-CG 3.41Å; T289-L293 PolarHBondContact O-N 3.45Å; E290-L293 PolarHBondContact O-N 3.25Å; L293-Q295 VanDerWaalsContact C-N 3.28Å; L293-Q295 PolarHBondContact O-N 3.38Å; L293-Q296 WeakPolarHBondContact O-CA 3.12Å; L293-Q296 PolarHBondContact O-N 3.27Å; L293-L299 HydrophobicContact CD2-CD1 3.72Å; L293-L299 HydrophobicContact CD2-CG 4.26Å; L293-L299 HydrophobicContact CG-CD1 4.17Å; L293-V324 HydrophobicContact CD1-CB 4.4Å; L293-V324 HydrophobicContact CD1-CG1 4.3Å; L293-V324 HydrophobicContact CD1-CG2 4.23Å; L293-T327 HydrophobicContact CD1-CG2 4.09Å; L293-I333 HydrophobicContact CB-CD1 4.01Å; L293-I333 HydrophobicContact CB-CG2 4.12Å; L293-I333 HydrophobicContact CD1-CD1 4.05Å
294	R	92.6	Very high	92.3	Very high	113 Å²	113	18.1 Å²	18.1	43%	0.426	8%	0.08	S	C	.	.	H	α-helix	trans	-59.6	-38.7	174.6	-174.1	-177.4	-70.2	128.2	1.3	111.9	E290 E291 Q296	E290-R294 WeakPolarHBondContact O-CB 3.21Å; E290-R294 PolarHBondContact O-N 3.35Å; E290-R294 IonicContact OE1-CZ 3.58Å; E290-R294 IonicContact OE1-NH1 2.87Å; E290-R294 IonicContact OE1-NH2 3.61Å; E290-R294 PolarHBondContact OE1-NH2 3.02Å; E291-R294 PolarHBondContact O-N 3.34Å; E291-R294 IonicContact OE2-CZ 3.68Å; E291-R294 IonicContact OE2-NH1 2.82Å; E291-R294 PolarHBondContact OE2-NH1 3.05Å; R294-Q296 PolarHBondContact O-N 3.11Å
295	Q	91.8	Very high	91.7	Very high	46 Å²	46	19.6 Å²	19.6	22%	0.215	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	17.9	174.1	-62.9	-170.9	19	0	0	113.6	R120 E291 L292 L293 Q297	R120-Q295 PolarHBondContact O-NE2 3.35Å; E291-Q295 WeakPolarHBondContact O-CG 3.36Å; E291-Q295 PolarHBondContact O-N 3.17Å; E291-Q295 PolarHBondContact OE1-NE2 3.49Å; L292-Q295 CarbonylContact O-C 3.57Å; L292-Q295 PolarHBondContact O-N 3.04Å; L293-Q295 VanDerWaalsContact C-N 3.28Å; L293-Q295 PolarHBondContact O-N 3.38Å; Q295-Q297 HydrophobicContact CB-CG 4.18Å; Q295-Q297 PolarHBondContact O-N 3.42Å; Q295-Q297 VanDerWaalsContact O-N 3.14Å; Q295-Q297 PolarHBondContact O-NE2 3.47Å
296	Q	91.6	Very high	91.1	Very high	102 Å²	102	21.3 Å²	21.3	48%	0.477	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	38.6	177.3	-59.2	175.9	-8.3	0	0	112.8	K210 K238 L292 L293 R294	K210-Q296 PolarHBondContact O-NE2 3.12Å; K210-Q296 PolarHBondContact O-OE1 3.06Å; K238-Q296 PolarHBondContact NZ-O 2.79Å; L292-Q296 PolarHBondContact O-N 2.84Å; L293-Q296 WeakPolarHBondContact O-CA 3.12Å; L293-Q296 PolarHBondContact O-N 3.27Å; R294-Q296 PolarHBondContact O-N 3.11Å
297	Q	91.9	Very high	90.7	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.023	11%	0.105	C	C	.	.			trans	-82.7	148.8	175.8	-56.8	-63.4	-42.3	0	0	110.5	M117 T119 P212 K238 H241 L292 Q295	M117-Q297 PolarHBondContact O-NE2 3.48Å; M117-Q297 PolarHBondContact O-OE1 3.43Å; T119-Q297 VanDerWaalsContact CG2-CD 3.46Å; T119-Q297 HydrophobicContact CG2-CG 3.34Å; P212-Q297 WeakPolarHBondContact CB-O 3.21Å; K238-Q297 VanDerWaalsContact CE-CD 3.46Å; K238-Q297 VanDerWaalsContact NZ-OE1 3.11Å; H241-Q297 PolarHBondContact CE1-OE1 3.24Å; H241-Q297 VanDerWaalsContact CE1-OE1 3.23Å; L292-Q297 HydrophobicContact CB-CB 4.23Å; L292-Q297 HydrophobicContact CB-CG 4.48Å; L292-Q297 HydrophobicContact CD2-CG 4.4Å; L292-Q297 VanDerWaalsContact O-CB 3.24Å; L292-Q297 WeakPolarHBondContact O-CB 3.25Å; L292-Q297 VanDerWaalsContact O-CG 3.29Å; L292-Q297 WeakPolarHBondContact O-CG 3.5Å; L292-Q297 PolarHBondContact O-N 3.18Å; Q295-Q297 HydrophobicContact CB-CG 4.18Å; Q295-Q297 PolarHBondContact O-N 3.42Å; Q295-Q297 VanDerWaalsContact O-N 3.14Å; Q295-Q297 PolarHBondContact O-NE2 3.47Å
298	F	93.7	Very high	90.3	Very high	12 Å²	12	21.2 Å²	21.2	5%	0.053	11%	0.106	C	C	.	.			trans	-86.4	147.2	172.7	-56.9	-14.8	0	0	0	109.4	A206 M213 F215 I237 K238 P240 H241	A206-F298 HydrophobicContact CB-CE2 4.43Å; A206-F298 HydrophobicContact CB-CZ 4.14Å; M213-F298 HydrophobicContact CB-CD1 3.75Å; M213-F298 HydrophobicContact CB-CE1 4.08Å; M213-F298 HydrophobicContact CB-CG 4.05Å; M213-F298 HydrophobicContact CE-CD1 4.37Å; M213-F298 HydrophobicContact CE-CD2 3.83Å; M213-F298 HydrophobicContact CE-CE1 3.88Å; M213-F298 HydrophobicContact CE-CE2 3.27Å; M213-F298 HydrophobicContact CE-CG 4.37Å; M213-F298 HydrophobicContact CE-CZ 3.32Å; M213-F298 HydrophobicContact CG-CD1 4.04Å; M213-F298 HydrophobicContact CG-CE1 3.83Å; M213-F298 HydrophobicContact CG-CZ 4.24Å; M213-F298 CarbonylContact O-C 3.52Å; M213-F298 WeakPolarHBondContact O-CA 3.21Å; F215-F298 HydrophobicContact CE2-CB 4.09Å; F215-F298 HydrophobicContact CE2-CD2 4.11Å; F215-F298 HydrophobicContact CE2-CG 4.33Å; I237-F298 HydrophobicContact CG2-CD2 4.43Å; I237-F298 HydrophobicContact CG2-CE2 3.88Å; K238-F298 HydrophobicContact CB-CD2 3.94Å; K238-F298 HydrophobicContact CB-CE2 3.68Å; K238-F298 HydrophobicContact CB-CZ 4.35Å; K238-F298 HydrophobicContact CD-CE2 4.48Å; K238-F298 HydrophobicContact CG-CD2 4.31Å; K238-F298 HydrophobicContact CG-CE2 4.41Å; K238-F298 VanDerWaalsContact O-CD2 3.25Å; K238-F298 WeakPolarHBondContact O-CD2 3.47Å; P240-F298 CarbonylContact C-O 3.54Å; P240-F298 WeakPolarHBondContact CA-O 3.44Å; P240-F298 HydrophobicContact CB-CB 4.04Å; H241-F298 PolarHBondContact N-O 3.13Å
299	L	94.5	Very high	89.7	Confident	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.2	179	-57.2	-179	0	0	0	110.1	M213 I214 F215 H241 T289 L292 L293 V301	M213-L299 PolarHBondContact O-N 2.75Å; I214-L299 CarbonylContact C-O 3.49Å; I214-L299 WeakPolarHBondContact CA-O 3.49Å; I214-L299 HydrophobicContact CD1-CD1 4.24Å; I214-L299 HydrophobicContact CG1-CB 4.19Å; I214-L299 HydrophobicContact CG1-CD1 4.41Å; I214-L299 HydrophobicContact CG2-CB 4.36Å; F215-L299 PolarHBondContact N-O 3.42Å; H241-L299 HydrophobicContact CB-CD2 3.94Å; H241-L299 WeakPolarHBondContact O-CA 3.33Å; T289-L299 HydrophobicContact CG2-CD1 3.9Å; L292-L299 HydrophobicContact CB-CD2 4.2Å; L292-L299 HydrophobicContact CD1-CD2 3.68Å; L293-L299 HydrophobicContact CD2-CD1 3.72Å; L293-L299 HydrophobicContact CD2-CG 4.26Å; L293-L299 HydrophobicContact CG-CD1 4.17Å; L299-V301 HydrophobicContact CB-CG2 4.48Å
300	E	93.6	Very high	89.2	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.2	169.7	-172.8	-174.9	143.7	0	0	108.8	F215 P217 Y225 P240 H241 I242 A243 F302	F215-E300 HydrophobicContact CB-CG 4.42Å; F215-E300 WeakPolarHBondContact O-CA 3.46Å; P217-E300 HydrophobicContact CG-CG 4.32Å; Y225-E300 WeakPolarHBondContact CA-OE1 3.49Å; P240-E300 HydrophobicContact CB-CB 3.96Å; P240-E300 HydrophobicContact CG-CB 3.97Å; H241-E300 PolarHBondContact O-N 2.93Å; I242-E300 HydrophobicContact CG1-CB 4.35Å; A243-E300 PolarHBondContact N-O 3.47Å; A243-E300 VanDerWaalsContact N-O 3.08Å; E300-F302 WeakPolarHBondContact OE1-CE2 3.48Å; E300-F302 WeakPolarHBondContact OE1-CZ 3.44Å
301	V	92.8	Very high	88.7	Confident	11 Å²	11	23.2 Å²	23.2	7%	0.067	11%	0.114	C	C	.	.			trans	-135.4	120.3	-173.7	-178.6	0	0	0	0	110.6	I214 F215 L216 A243 L299 L303 M320	I214-V301 HydrophobicContact CG2-CG2 4.49Å; F215-V301 PolarHBondContact O-N 2.83Å; L216-V301 HydrophobicContact CD2-CB 3.82Å; L216-V301 HydrophobicContact CD2-CG1 4.45Å; L216-V301 WeakPolarHBondContact CD2-O 3.46Å; A243-V301 HydrophobicContact CB-CG2 4.28Å; L299-V301 HydrophobicContact CB-CG2 4.48Å; V301-L303 HydrophobicContact CG1-CD2 4.48Å; V301-L303 PolarHBondContact O-N 3Å; V301-M320 HydrophobicContact CG1-CB 3.69Å; V301-M320 HydrophobicContact CG1-CG 4.2Å; V301-M320 HydrophobicContact CG2-CB 4.4Å
302	F	91.3	Very high	88.4	Confident	26 Å²	26	23.2 Å²	23.2	11%	0.114	11%	0.114	C	C	.	.			trans	-83.9	103.7	171.5	-61.6	-83.2	0	0	0	110.2	P217 H219 D224 E300 E304 G305	P217-F302 HydrophobicContact CB-CD1 4.41Å; P217-F302 HydrophobicContact CB-CE1 4.06Å; P217-F302 HydrophobicContact CG-CD1 3.59Å; P217-F302 HydrophobicContact CG-CE1 3.33Å; P217-F302 HydrophobicContact CG-CG 4.4Å; P217-F302 HydrophobicContact CG-CZ 3.9Å; H219-F302 HydrophobicContact CB-CB 4.36Å; H219-F302 HydrophobicContact CB-CD1 3.46Å; H219-F302 VanDerWaalsContact CB-CD1 3.46Å; H219-F302 HydrophobicContact CB-CE1 4.08Å; H219-F302 HydrophobicContact CB-CG 4.19Å; H219-F302 AromaticContact CG-CD1 3.46Å; H219-F302 VanDerWaalsContact CG-CD1 3.46Å; H219-F302 AromaticContact CG-CE1 3.81Å; H219-F302 AromaticContact CG-CG 3.97Å; H219-F302 AromaticContact ND1-CD1 3.73Å; H219-F302 AromaticContact ND1-CE1 3.56Å; D224-F302 HydrophobicContact CB-CE1 3.83Å; D224-F302 HydrophobicContact CB-CZ 3.95Å; E300-F302 WeakPolarHBondContact OE1-CE2 3.48Å; E300-F302 WeakPolarHBondContact OE1-CZ 3.44Å; F302-E304 PolarHBondContact O-N 3.41Å; F302-G305 PolarHBondContact O-N 3.24Å; F302-G305 VanDerWaalsContact O-N 3.1Å
303	L	89.8	Confident	87.9	Confident	3 Å²	3	24.9 Å²	24.9	2%	0.016	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.5	-179.1	-63.8	177.3	0	0	0	112.4	L216 V301 G305 P316 R317 L321 A456 V459	L216-L303 HydrophobicContact CB-CD1 4.44Å; L216-L303 HydrophobicContact CD1-CD1 4.21Å; L216-L303 HydrophobicContact CD2-CD2 4.03Å; L216-L303 HydrophobicContact CD2-CG 4.1Å; V301-L303 HydrophobicContact CG1-CD2 4.48Å; V301-L303 PolarHBondContact O-N 3Å; L303-G305 VanDerWaalsContact C-N 3.28Å; L303-G305 PolarHBondContact O-N 2.95Å; L303-P316 HydrophobicContact CB-CB 4.14Å; L303-R317 PolarHBondContact O-N 3.22Å; L303-L321 HydrophobicContact CD2-CB 4.27Å; L303-L321 HydrophobicContact CD2-CD2 4.34Å; L303-A456 HydrophobicContact CD1-CB 4.19Å; L303-V459 HydrophobicContact CD1-CB 4.27Å; L303-V459 HydrophobicContact CD1-CG1 4.11Å
304	E	84.4	Confident	87.3	Confident	3 Å²	3	26.5 Å²	26.5	1%	0.014	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.9	178.2	-62.3	-178.3	-118.8	0	0	113	V218 H219 F302 T306 P313 F314 L460	V218-E304 WeakPolarHBondContact CA-OE1 3.46Å; H219-E304 PolarHBondContact N-OE1 2.9Å; F302-E304 PolarHBondContact O-N 3.41Å; E304-T306 PolarHBondContact O-N 2.8Å; E304-P313 WeakPolarHBondContact OE2-CA 3.43Å; E304-F314 HydrophobicContact CB-CB 4.14Å; E304-F314 HydrophobicContact CG-CB 4.22Å; E304-F314 PolarHBondContact OE2-N 2.88Å; E304-L460 HydrophobicContact CG-CD1 4.08Å; E304-L460 HydrophobicContact CG-CD2 4.24Å
305	G	78.9	Confident	86.8	Confident	30 Å²	30	23.9 Å²	23.9	31%	0.309	13%	0.13	S	C	.	.	S	Bend	trans	71	-11.6	-177.3	0	0	0	0	0	115.9	R267 F302 L303	R267-G305 PolarHBondContact NE-O 3.35Å; R267-G305 PolarHBondContact NH2-O 3.34Å; F302-G305 PolarHBondContact O-N 3.24Å; F302-G305 VanDerWaalsContact O-N 3.1Å; L303-G305 VanDerWaalsContact C-N 3.28Å; L303-G305 PolarHBondContact O-N 2.95Å
306	T	78.9	Confident	86.6	Confident	40 Å²	40	22.8 Å²	22.8	25%	0.245	13%	0.127	C	C	.	.	S	Bend	trans	-145.9	150.6	174.2	51.7	0	0	0	0	110	E304	E304-T306 PolarHBondContact O-N 2.8Å
307	R	84.2	Confident	86.3	Confident	11 Å²	11	25.8 Å²	25.8	4%	0.042	13%	0.134	C	C	.	.			trans	-57.4	144.7	169.9	68.5	175.9	-175.6	-161.9	0.4	111.4	H219 H222 F314 E350 E356	H219-R307 PolarHBondContact CD2-N 3.1Å; H219-R307 VanDerWaalsContact CD2-N 3.31Å; H219-R307 CarbonylContact O-C 3.57Å; H219-R307 WeakPolarHBondContact O-CA 3.47Å; H222-R307 PolarHBondContact CD2-NH1 2.82Å; H222-R307 VanDerWaalsContact CD2-NH1 3.28Å; H222-R307 PolarHBondContact NE2-NH1 2.71Å; R307-F314 WeakPolarHBondContact O-CE2 3.45Å; R307-E350 WeakPolarHBondContact CD-OE2 3.14Å; R307-E350 IonicContact CZ-OE2 3.09Å; R307-E350 IonicContact NE-OE2 3.24Å; R307-E350 IonicContact NH1-OE2 2.67Å; R307-E350 PolarHBondContact NH1-OE2 3.03Å; R307-E356 IonicContact CZ-OE1 3.73Å; R307-E356 VanDerWaalsContact NH2-CD 3.34Å; R307-E356 IonicContact NH2-OE1 3.96Å; R307-E356 PolarHBondContact NH2-OE1 3.33Å; R307-E356 IonicContact NH2-OE2 2.73Å
308	S	83.6	Confident	85.7	Confident	4 Å²	4	26.8 Å²	26.8	3%	0.028	14%	0.143	C	C	.	.			trans	-60.1	135.5	169.9	-175.1	0	0	0	0	110.4	H219 G311 K312	H219-S308 WeakPolarHBondContact O-CB 3.37Å; H219-S308 PolarHBondContact O-N 3.12Å; S308-G311 WeakPolarHBondContact OG-CA 3.46Å; S308-G311 PolarHBondContact OG-N 3.01Å; S308-K312 WeakPolarHBondContact CB-O 3.18Å; S308-K312 PolarHBondContact OG-N 3.46Å; S308-K312 PolarHBondContact OG-O 3.37Å
309	R	81.8	Confident	85.3	Confident	57 Å²	57	28.1 Å²	28.1	22%	0.215	16%	0.159	C	C	.	.	S	Bend	trans	-107.9	-17.2	175.3	-68.1	171	172.2	176.6	-7.1	112.3	E356 Q357 F559	R309-E356 IonicContact CZ-OE2 2.6Å; R309-E356 IonicContact NE-OE2 3.32Å; R309-E356 PolarHBondContact NE-OE2 3.15Å; R309-E356 IonicContact NH2-OE2 3.2Å; R309-E356 PolarHBondContact NH2-OE2 2.97Å; R309-Q357 PolarHBondContact O-NE2 2.97Å; R309-F559 WeakPolarHBondContact O-CD2 3.28Å
310	S	82.5	Confident	85.1	Confident	3 Å²	3	29.1 Å²	29.1	2%	0.021	16%	0.164	C	C	.	.	S	Bend	trans	-106.3	-10.3	-179.3	53	0	0	0	0	112.3	K312 F559 N562	S310-K312 PolarHBondContact OG-N 3.22Å; S310-F559 VanDerWaalsContact C-CD2 3.49Å; S310-N562 WeakPolarHBondContact O-CB 3.44Å; S310-N562 PolarHBondContact O-ND2 3.27Å
311	G	84	Confident	84.9	Confident	6 Å²	6	29.3 Å²	29.3	6%	0.062	17%	0.165	C	C	.	.	S	Bend	trans	89.7	-13.7	-171.1	0	0	0	0	0	112.7	S308	S308-G311 WeakPolarHBondContact OG-CA 3.46Å; S308-G311 PolarHBondContact OG-N 3.01Å
312	K	86.9	Confident	84.9	Confident	13 Å²	13	30.3 Å²	30.3	6%	0.057	17%	0.173	C	C	.	.	S	Bend	trans	-90.6	146.9	175.2	-54.4	-174.8	-171.2	-176.8	0	111.4	S308 S310 N562 F565	S308-K312 WeakPolarHBondContact CB-O 3.18Å; S308-K312 PolarHBondContact OG-N 3.46Å; S308-K312 PolarHBondContact OG-O 3.37Å; S310-K312 PolarHBondContact OG-N 3.22Å; K312-N562 WeakPolarHBondContact CE-OD1 3.45Å; K312-N562 HydrophobicContact CG-CB 3.87Å; K312-F565 HydrophobicContact CD-CD1 4.08Å; K312-F565 HydrophobicContact CD-CE1 4.41Å; K312-F565 VanDerWaalsContact NZ-CZ 3.27Å
313	P	83.3	Confident	84.9	Confident	36 Å²	36	29.8 Å²	29.8	23%	0.234	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-66.4	137.6	174.3	28	-34	0	0	0	111.2	E304 L460 N464	E304-P313 WeakPolarHBondContact OE2-CA 3.43Å; P313-L460 HydrophobicContact CB-CD1 3.97Å; P313-L460 HydrophobicContact CB-CD2 3.91Å; P313-L460 HydrophobicContact CB-CG 3.86Å; P313-N464 HydrophobicContact CG-CB 4.19Å
314	F	80.7	Confident	85.1	Confident	34 Å²	34	29.8 Å²	29.8	15%	0.149	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-77.9	156.5	175.1	-81.4	-79.1	0	0	0	112.8	E304 R307 L460 Y767	E304-F314 HydrophobicContact CB-CB 4.14Å; E304-F314 HydrophobicContact CG-CB 4.22Å; E304-F314 PolarHBondContact OE2-N 2.88Å; R307-F314 WeakPolarHBondContact O-CE2 3.45Å; F314-L460 WeakPolarHBondContact O-CD2 3.49Å; F314-Y767 HydrophobicContact CD1-CD2 4.47Å; F314-Y767 AromaticContact CD1-CE2 3.8Å; F314-Y767 HydrophobicContact CD1-CE2 3.8Å; F314-Y767 AromaticContact CE1-CD2 3.49Å; F314-Y767 HydrophobicContact CE1-CD2 3.49Å; F314-Y767 VanDerWaalsContact CE1-CD2 3.49Å; F314-Y767 AromaticContact CE1-CE2 3.24Å; F314-Y767 HydrophobicContact CE1-CE2 3.24Å; F314-Y767 AromaticContact CZ-CD2 3.68Å; F314-Y767 HydrophobicContact CZ-CD2 3.68Å; F314-Y767 AromaticContact CZ-CE2 3.73Å; F314-Y767 HydrophobicContact CZ-CE2 3.73Å
315	P	83.1	Confident	85.5	Confident	58 Å²	58	29.7 Å²	29.7	38%	0.377	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-53.7	134.6	171.6	-26.6	35	0	0	0	112.3
316	P	86.6	Confident	86.1	Confident	24 Å²	24	29.6 Å²	29.6	16%	0.156	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-70.9	147.9	-171.4	27.5	-34.7	0	0	0	113.1	L303 A456 K457	L303-P316 HydrophobicContact CB-CB 4.14Å; P316-A456 HydrophobicContact CB-CB 3.66Å; P316-A456 HydrophobicContact CG-CB 3.88Å; P316-K457 HydrophobicContact CG-CG 3.85Å
317	R	84.9	Confident	86.8	Confident	165 Å²	165	27.7 Å²	27.7	62%	0.623	15%	0.152	S	C	*	.			trans	-109	98.6	171.2	-63.4	-173.8	179.4	-146.7	-3.4	109.4	L303 G319	L303-R317 PolarHBondContact O-N 3.22Å; R317-G319 PolarHBondContact O-N 2.68Å
318	A	80.9	Confident	87.2	Confident	26 Å²	26	27.9 Å²	27.9	22%	0.215	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	1.7	-173	0	0	0	0	0	116.7	M320 L321 S322 I452	A318-M320 PolarHBondContact O-N 2.93Å; A318-L321 CarbonylContact O-C 3.59Å; A318-L321 PolarHBondContact O-N 3.08Å; A318-L321 VanDerWaalsContact O-N 3.14Å; A318-S322 PolarHBondContact O-N 3.37Å; A318-S322 PolarHBondContact O-OG 3.14Å; A318-I452 HydrophobicContact CB-CG2 3.64Å
319	G	85.2	Confident	87.5	Confident	39 Å²	39	31.2 Å²	31.2	40%	0.402	17%	0.171	S	C	.	.	H	α-helix	trans	-63.9	-33.6	-167.2	0	0	0	0	0	116.2	R317 S322	R317-G319 PolarHBondContact O-N 2.68Å; G319-S322 PolarHBondContact O-OG 3.41Å
320	M	88.7	Confident	87.8	Confident	22 Å²	22	33.3 Å²	33.3	11%	0.108	19%	0.19	C	C	.	.	H	α-helix	trans	-80.4	-36.9	173	-75.7	-55.6	-60	0	0	111.7	F263 I265 L285 T289 V301 A318 S322 I323 V324	F263-M320 HydrophobicContact CE2-CE 4.27Å; F263-M320 HydrophobicContact CZ-CE 4.06Å; I265-M320 HydrophobicContact CD1-CE 4.16Å; I265-M320 HydrophobicContact CD1-CG 4.06Å; I265-M320 HydrophobicContact CD1-SD 3.54Å; I265-M320 VanDerWaalsContact CD1-SD 3.54Å; L285-M320 HydrophobicContact CD1-SD 4.35Å; L285-M320 HydrophobicContact CD2-SD 4.15Å; L285-M320 HydrophobicContact CG-SD 4.46Å; T289-M320 HydrophobicContact CG2-CE 4.06Å; V301-M320 HydrophobicContact CG1-CB 3.69Å; V301-M320 HydrophobicContact CG1-CG 4.2Å; V301-M320 HydrophobicContact CG2-CB 4.4Å; A318-M320 PolarHBondContact O-N 2.93Å; M320-S322 VanDerWaalsContact C-N 3.28Å; M320-S322 PolarHBondContact O-N 2.92Å; M320-I323 HydrophobicContact CE-CD1 4.39Å; M320-I323 PolarHBondContact O-N 2.92Å; M320-I323 HydrophobicContact SD-CD1 4Å; M320-V324 PolarHBondContact O-N 3.17Å
321	L	91.3	Very high	88.2	Confident	4 Å²	4	36 Å²	36	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-65.1	-33.8	177.7	-171.5	63.1	0	0	0	111.6	L216 L303 A318 I323 V324 V325 I452 L455 A456	L216-L321 HydrophobicContact CD1-CD1 4.38Å; L303-L321 HydrophobicContact CD2-CB 4.27Å; L303-L321 HydrophobicContact CD2-CD2 4.34Å; A318-L321 CarbonylContact O-C 3.59Å; A318-L321 PolarHBondContact O-N 3.08Å; A318-L321 VanDerWaalsContact O-N 3.14Å; L321-I323 VanDerWaalsContact C-N 3.31Å; L321-I323 PolarHBondContact O-N 3.42Å; L321-V324 WeakPolarHBondContact O-CB 3.5Å; L321-V324 PolarHBondContact O-N 3.42Å; L321-V325 WeakPolarHBondContact O-CG2 3.38Å; L321-V325 PolarHBondContact O-N 3.36Å; L321-I452 HydrophobicContact CB-CG2 4.24Å; L321-I452 HydrophobicContact CD2-CG2 4.13Å; L321-I452 HydrophobicContact CG-CG2 4.11Å; L321-L455 HydrophobicContact CD1-CD2 4.05Å; L321-L455 HydrophobicContact CD2-CB 4.34Å; L321-L455 HydrophobicContact CD2-CD2 3.88Å; L321-L455 HydrophobicContact CD2-CG 3.97Å; L321-L455 HydrophobicContact CG-CD2 4.16Å; L321-A456 HydrophobicContact CD2-CB 3.82Å
322	S	91.6	Very high	88.4	Confident	33 Å²	33	37.2 Å²	37.2	23%	0.231	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-38	175.1	63.4	0	0	0	0	112.1	A318 G319 M320 V324 V325 D326	A318-S322 PolarHBondContact O-N 3.37Å; A318-S322 PolarHBondContact O-OG 3.14Å; G319-S322 PolarHBondContact O-OG 3.41Å; M320-S322 VanDerWaalsContact C-N 3.28Å; M320-S322 PolarHBondContact O-N 2.92Å; S322-V324 VanDerWaalsContact C-N 3.31Å; S322-V324 PolarHBondContact O-N 3.16Å; S322-V325 PolarHBondContact O-N 3.08Å; S322-D326 VanDerWaalsContact O-CB 3.25Å; S322-D326 WeakPolarHBondContact O-CB 3.37Å; S322-D326 PolarHBondContact O-N 2.81Å
323	I	92.1	Very high	88.7	Confident	14 Å²	14	37.4 Å²	37.4	7%	0.072	23%	0.229	C	C	.	.	H	α-helix	trans	-63.8	-40.8	176.7	-60.4	168.7	0	0	0	110.5	L285 H286 T289 M320 L321 T327	L285-I323 HydrophobicContact CD2-CD1 4.28Å; L285-I323 HydrophobicContact CG-CD1 4.08Å; H286-I323 HydrophobicContact CB-CG2 4.46Å; T289-I323 HydrophobicContact CG2-CG2 3.94Å; M320-I323 HydrophobicContact CE-CD1 4.39Å; M320-I323 PolarHBondContact O-N 2.92Å; M320-I323 HydrophobicContact SD-CD1 4Å; L321-I323 VanDerWaalsContact C-N 3.31Å; L321-I323 PolarHBondContact O-N 3.42Å; I323-T327 WeakPolarHBondContact O-CB 3.21Å; I323-T327 PolarHBondContact O-N 3.04Å; I323-T327 PolarHBondContact O-OG1 3.48Å
324	V	94.2	Very high	89.2	Confident	3 Å²	3	38.5 Å²	38.5	2%	0.018	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-49.9	177.7	176.4	0	0	0	0	110.7	I214 L293 M320 L321 S322 D326 T327 L328 V336 L395	I214-V324 HydrophobicContact CD1-CB 3.9Å; I214-V324 HydrophobicContact CD1-CG1 3.29Å; I214-V324 HydrophobicContact CD1-CG2 3.32Å; L293-V324 HydrophobicContact CD1-CB 4.4Å; L293-V324 HydrophobicContact CD1-CG1 4.3Å; L293-V324 HydrophobicContact CD1-CG2 4.23Å; M320-V324 PolarHBondContact O-N 3.17Å; L321-V324 WeakPolarHBondContact O-CB 3.5Å; L321-V324 PolarHBondContact O-N 3.42Å; S322-V324 VanDerWaalsContact C-N 3.31Å; S322-V324 PolarHBondContact O-N 3.16Å; V324-D326 VanDerWaalsContact C-N 3.33Å; V324-D326 PolarHBondContact O-N 2.65Å; V324-T327 WeakPolarHBondContact O-CB 3.39Å; V324-T327 PolarHBondContact O-N 2.81Å; V324-L328 PolarHBondContact O-N 2.86Å; V324-V336 HydrophobicContact CG1-CB 4.5Å; V324-V336 HydrophobicContact CG1-CG1 4.27Å; V324-V336 HydrophobicContact CG1-CG2 4.13Å; V324-L395 HydrophobicContact CG1-CD2 3.74Å
325	V	93	Very high	89.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-43.5	179.4	170.7	0	0	0	0	110.3	L321 S322 T327 L328 L329 L395 L399 I452 L455	L321-V325 WeakPolarHBondContact O-CG2 3.38Å; L321-V325 PolarHBondContact O-N 3.36Å; S322-V325 PolarHBondContact O-N 3.08Å; V325-T327 VanDerWaalsContact C-N 3.33Å; V325-T327 PolarHBondContact O-N 3.36Å; V325-L328 WeakPolarHBondContact O-CB 3.37Å; V325-L328 PolarHBondContact O-N 2.98Å; V325-L329 HydrophobicContact CG1-CD1 3.77Å; V325-L329 HydrophobicContact CG1-CG 4.17Å; V325-L329 WeakPolarHBondContact O-CB 3.1Å; V325-L329 WeakPolarHBondContact O-CG 3.3Å; V325-L329 PolarHBondContact O-N 3.19Å; V325-L395 HydrophobicContact CG2-CD1 4.34Å; V325-L395 HydrophobicContact CG2-CD2 4.09Å; V325-L399 HydrophobicContact CG1-CD1 4.05Å; V325-L399 HydrophobicContact CG1-CD2 4.33Å; V325-I452 HydrophobicContact CB-CD1 4.39Å; V325-I452 HydrophobicContact CB-CG1 4.12Å; V325-I452 HydrophobicContact CG1-CD1 4.28Å; V325-I452 HydrophobicContact CG1-CG1 3.99Å; V325-I452 HydrophobicContact CG2-CG1 4.13Å; V325-L455 HydrophobicContact CG2-CD2 4.35Å
326	D	90.9	Very high	90.5	Very high	27 Å²	27	35 Å²	35	14%	0.144	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-40.6	176.6	-71.3	-8.7	0	0	0	111.9	S322 V324 L328 L329 T330 R448	S322-D326 VanDerWaalsContact O-CB 3.25Å; S322-D326 WeakPolarHBondContact O-CB 3.37Å; S322-D326 PolarHBondContact O-N 2.81Å; V324-D326 VanDerWaalsContact C-N 3.33Å; V324-D326 PolarHBondContact O-N 2.65Å; D326-L328 VanDerWaalsContact C-N 3.29Å; D326-L328 PolarHBondContact O-N 3.01Å; D326-L329 PolarHBondContact O-N 2.93Å; D326-T330 WeakPolarHBondContact O-CB 3.26Å; D326-T330 VanDerWaalsContact O-CG2 3.27Å; D326-T330 WeakPolarHBondContact O-CG2 3.28Å; D326-T330 PolarHBondContact O-N 2.97Å; D326-T330 PolarHBondContact O-OG1 3.2Å; D326-R448 IonicContact OD1-CZ 3.73Å; D326-R448 IonicContact OD1-NE 3.88Å; D326-R448 IonicContact OD1-NH1 3.19Å; D326-R448 PolarHBondContact OD1-NH1 3.21Å; D326-R448 IonicContact OD2-NH1 3.52Å; D326-R448 PolarHBondContact OD2-NH1 3.38Å
327	T	92.3	Very high	91	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-37.4	176.3	-56.6	0	0	0	0	111.9	E290 L293 I323 V324 V325 T330 A332 I333	E290-T327 HydrophobicContact CB-CG2 4.2Å; E290-T327 HydrophobicContact CG-CG2 3.87Å; L293-T327 HydrophobicContact CD1-CG2 4.09Å; I323-T327 WeakPolarHBondContact O-CB 3.21Å; I323-T327 PolarHBondContact O-N 3.04Å; I323-T327 PolarHBondContact O-OG1 3.48Å; V324-T327 WeakPolarHBondContact O-CB 3.39Å; V324-T327 PolarHBondContact O-N 2.81Å; V325-T327 VanDerWaalsContact C-N 3.33Å; V325-T327 PolarHBondContact O-N 3.36Å; T327-T330 WeakPolarHBondContact CA-OG1 3.37Å; T327-T330 PolarHBondContact O-OG1 3.16Å; T327-T330 VanDerWaalsContact O-OG1 3.13Å; T327-A332 HydrophobicContact CG2-CB 3.88Å; T327-A332 PolarHBondContact O-N 3.39Å; T327-I333 HydrophobicContact CG2-CD1 3.77Å; T327-I333 HydrophobicContact CG2-CG1 4.01Å; T327-I333 HydrophobicContact CG2-CG2 4.15Å
328	L	92.8	Very high	91.5	Very high	16 Å²	16	26 Å²	26	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-71.9	-46.8	176	-178.7	63.6	0	0	0	111.7	V324 V325 D326 T330 G331 I333 G334 L395 K396 L399	V324-L328 PolarHBondContact O-N 2.86Å; V325-L328 WeakPolarHBondContact O-CB 3.37Å; V325-L328 PolarHBondContact O-N 2.98Å; D326-L328 VanDerWaalsContact C-N 3.29Å; D326-L328 PolarHBondContact O-N 3.01Å; L328-T330 VanDerWaalsContact C-N 3.31Å; L328-T330 PolarHBondContact O-N 3.36Å; L328-G331 PolarHBondContact O-N 2.87Å; L328-I333 HydrophobicContact CB-CG1 4.38Å; L328-I333 HydrophobicContact CD1-CG1 4.15Å; L328-G334 WeakPolarHBondContact CD1-O 3.48Å; L328-L395 HydrophobicContact CD2-CB 4.04Å; L328-L395 HydrophobicContact CD2-CD2 3.9Å; L328-L395 HydrophobicContact CD2-CG 3.69Å; L328-K396 HydrophobicContact CD2-CB 4.1Å; L328-L399 HydrophobicContact CD2-CD1 3.83Å
329	L	90.4	Very high	92.3	Very high	73 Å²	73	24.8 Å²	24.8	38%	0.382	18%	0.18	S	C	.	.	H	α-helix	trans	-65.6	-32.9	-178.9	-70.1	177.6	0	0	0	112.8	V325 D326 G331 L399 R448	V325-L329 HydrophobicContact CG1-CD1 3.77Å; V325-L329 HydrophobicContact CG1-CG 4.17Å; V325-L329 WeakPolarHBondContact O-CB 3.1Å; V325-L329 WeakPolarHBondContact O-CG 3.3Å; V325-L329 PolarHBondContact O-N 3.19Å; D326-L329 PolarHBondContact O-N 2.93Å; L329-G331 PolarHBondContact O-N 3.31Å; L329-L399 HydrophobicContact CD2-CD1 4.2Å; L329-R448 HydrophobicContact CD1-CG 4.42Å
330	T	89.4	Confident	92.9	Very high	101 Å²	101	23 Å²	23	62%	0.62	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-6.3	173.7	50.5	0	0	0	0	113.6	D326 T327 L328 A332	D326-T330 WeakPolarHBondContact O-CB 3.26Å; D326-T330 VanDerWaalsContact O-CG2 3.27Å; D326-T330 WeakPolarHBondContact O-CG2 3.28Å; D326-T330 PolarHBondContact O-N 2.97Å; D326-T330 PolarHBondContact O-OG1 3.2Å; T327-T330 WeakPolarHBondContact CA-OG1 3.37Å; T327-T330 PolarHBondContact O-OG1 3.16Å; T327-T330 VanDerWaalsContact O-OG1 3.13Å; L328-T330 VanDerWaalsContact C-N 3.31Å; L328-T330 PolarHBondContact O-N 3.36Å; T330-A332 VanDerWaalsContact C-N 3.26Å; T330-A332 PolarHBondContact O-N 2.74Å
331	G	89.9	Confident	93.3	Very high	59 Å²	59	22 Å²	22	61%	0.608	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	12.4	-179.6	0	0	0	0	0	114.3	L328 L329 I333	L328-G331 PolarHBondContact O-N 2.87Å; L329-G331 PolarHBondContact O-N 3.31Å; G331-I333 PolarHBondContact O-N 3.04Å
332	A	89.2	Confident	93.5	Very high	32 Å²	32	21.8 Å²	21.8	26%	0.264	16%	0.155	S	C	.	.	S	Bend	trans	-66.9	-22.5	177.3	0	0	0	0	0	112.5	E290 T327 T330	E290-A332 HydrophobicContact CG-CB 4.37Å; T327-A332 HydrophobicContact CG2-CB 3.88Å; T327-A332 PolarHBondContact O-N 3.39Å; T330-A332 VanDerWaalsContact C-N 3.26Å; T330-A332 PolarHBondContact O-N 2.74Å
333	I	93.3	Very high	93.6	Very high	17 Å²	17	20.2 Å²	20.2	9%	0.087	14%	0.144	C	C	.	.	S	Bend	trans	-136.4	151.1	173.1	62.6	-172.5	0	0	0	109.6	L293 T327 L328 G331 V336	L293-I333 HydrophobicContact CB-CD1 4.01Å; L293-I333 HydrophobicContact CB-CG2 4.12Å; L293-I333 HydrophobicContact CD1-CD1 4.05Å; T327-I333 HydrophobicContact CG2-CD1 3.77Å; T327-I333 HydrophobicContact CG2-CG1 4.01Å; T327-I333 HydrophobicContact CG2-CG2 4.15Å; L328-I333 HydrophobicContact CB-CG1 4.38Å; L328-I333 HydrophobicContact CD1-CG1 4.15Å; G331-I333 PolarHBondContact O-N 3.04Å; I333-V336 HydrophobicContact CD1-CG2 3.21Å; I333-V336 HydrophobicContact CG1-CG2 4.27Å
334	G	92.3	Very high	93.7	Very high	60 Å²	60	19.6 Å²	19.6	62%	0.619	14%	0.141	S	C	*	.	S	Bend	trans	-75.3	-39.5	-178.8	0	0	0	0	0	114.3	L328	L328-G334 WeakPolarHBondContact CD1-O 3.48Å
335	D	95.3	Very high	93.7	Very high	19 Å²	19	19.7 Å²	19.7	10%	0.102	14%	0.141	C	C	.	.			trans	-165.8	166.4	178.1	-166.5	16.6	0	0	0	111.1	L211 S394 L395 K396	L211-D335 HydrophobicContact CD1-CB 3.94Å; L211-D335 HydrophobicContact CD2-CB 4.2Å; D335-S394 PolarHBondContact OD1-OG 3.25Å; D335-S394 VanDerWaalsContact OD1-OG 3.13Å; D335-S394 VanDerWaalsContact OD2-CB 3.25Å; D335-S394 WeakPolarHBondContact OD2-CB 3.25Å; D335-S394 PolarHBondContact OD2-OG 2.69Å; D335-L395 PolarHBondContact OD1-N 2.85Å; D335-K396 HydrophobicContact CB-CB 4.37Å; D335-K396 WeakPolarHBondContact OD1-CB 3.49Å; D335-K396 PolarHBondContact OD1-N 2.72Å
336	V	96	Very high	93.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	14%	0.141	C	C	.	.			trans	-137.3	136.5	175.6	-176.9	0	0	0	0	109.1	P212 I214 V324 I333 L395	P212-V336 HydrophobicContact CG-CG2 4.02Å; I214-V336 HydrophobicContact CD1-CG1 3.63Å; I214-V336 HydrophobicContact CG1-CG1 3.61Å; V324-V336 HydrophobicContact CG1-CB 4.5Å; V324-V336 HydrophobicContact CG1-CG1 4.27Å; V324-V336 HydrophobicContact CG1-CG2 4.13Å; I333-V336 HydrophobicContact CD1-CG2 3.21Å; I333-V336 HydrophobicContact CG1-CG2 4.27Å; V336-L395 HydrophobicContact CB-CB 4.24Å; V336-L395 HydrophobicContact CB-CD2 4.28Å; V336-L395 VanDerWaalsContact O-CB 3.26Å; V336-L395 WeakPolarHBondContact O-CB 3.26Å; V336-L395 PolarHBondContact O-N 2.87Å
337	L	96.7	Very high	93.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.7	172.1	-55.2	177	0	0	0	111	A205 R209 L211 P212 M213 I214 P392 F393	A205-L337 HydrophobicContact CB-CD1 3.85Å; R209-L337 HydrophobicContact CB-CD1 4.4Å; L211-L337 HydrophobicContact CB-CG 4.27Å; L211-L337 HydrophobicContact CD1-CD2 4.12Å; L211-L337 HydrophobicContact CD1-CG 4.2Å; P212-L337 PolarHBondContact O-N 3.11Å; M213-L337 CarbonylContact C-O 3.37Å; M213-L337 VanDerWaalsContact CA-O 3.3Å; M213-L337 WeakPolarHBondContact CA-O 3.44Å; M213-L337 HydrophobicContact CG-CB 4.05Å; M213-L337 HydrophobicContact CG-CD1 4.24Å; M213-L337 HydrophobicContact SD-CD1 4.24Å; I214-L337 PolarHBondContact N-O 3.34Å; L337-P392 HydrophobicContact CB-CB 4.34Å; L337-P392 HydrophobicContact CD1-CB 4.49Å; L337-F393 CarbonylContact C-O 3.6Å; L337-F393 WeakPolarHBondContact CA-O 3.5Å
338	V	97.3	Very high	93.2	Very high	0 Å²	0	20 Å²	20	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.1	176.1	179.2	0	0	0	0	109.4	L216 P392 F393 L395 V459	L216-V338 HydrophobicContact CD1-CG1 3.58Å; L216-V338 HydrophobicContact CG-CG1 4.39Å; V338-P392 WeakPolarHBondContact O-CA 3.47Å; V338-F393 HydrophobicContact CB-CD1 4.3Å; V338-F393 HydrophobicContact CB-CD2 4.21Å; V338-F393 HydrophobicContact CB-CE1 3.82Å; V338-F393 HydrophobicContact CB-CE2 3.73Å; V338-F393 HydrophobicContact CB-CZ 3.52Å; V338-F393 HydrophobicContact CG1-CE1 3.74Å; V338-F393 HydrophobicContact CG1-CE2 4.19Å; V338-F393 HydrophobicContact CG1-CZ 3.49Å; V338-F393 VanDerWaalsContact CG1-CZ 3.49Å; V338-F393 HydrophobicContact CG2-CE2 4.14Å; V338-F393 HydrophobicContact CG2-CZ 4.27Å; V338-F393 PolarHBondContact N-O 3.15Å; V338-F393 WeakPolarHBondContact O-CD1 3.4Å; V338-F393 PolarHBondContact O-N 3.46Å; V338-F393 VanDerWaalsContact O-N 3.08Å; V338-L395 HydrophobicContact CG2-CB 4.12Å; V338-L395 HydrophobicContact CG2-CD1 4.34Å; V338-V459 HydrophobicContact CG1-CG2 3.91Å
339	V	97.1	Very high	92.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	97.3	-179.2	-171.6	0	0	0	0	109.4	V202 I214 F215 L216 V341 F389 P392	V202-V339 HydrophobicContact CG2-CG1 4.23Å; I214-V339 PolarHBondContact O-N 2.89Å; F215-V339 WeakPolarHBondContact CA-O 3.38Å; F215-V339 HydrophobicContact CD1-CB 3.81Å; F215-V339 HydrophobicContact CD1-CG1 3.84Å; F215-V339 HydrophobicContact CD1-CG2 4.35Å; F215-V339 HydrophobicContact CE1-CB 4.08Å; F215-V339 HydrophobicContact CE1-CG1 3.95Å; F215-V339 HydrophobicContact CE1-CG2 4.19Å; L216-V339 PolarHBondContact N-O 2.89Å; V339-V341 HydrophobicContact CG1-CG2 4.19Å; V339-F389 HydrophobicContact CG1-CD1 4.25Å; V339-P392 HydrophobicContact CG2-CB 3.92Å; V339-P392 HydrophobicContact CG2-CG 3.95Å
340	P	97.1	Very high	91.3	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	139.8	167.8	-16.5	28.4	0	0	0	110.4	N390 F393 V459 T462 A463	P340-N390 HydrophobicContact CB-CB 3.91Å; P340-N390 HydrophobicContact CG-CB 4.1Å; P340-N390 VanDerWaalsContact O-CB 3.3Å; P340-N390 WeakPolarHBondContact O-CB 3.45Å; P340-N390 PolarHBondContact O-N 3.19Å; P340-N390 PolarHBondContact O-OD1 3.41Å; P340-F393 HydrophobicContact CG-CE1 3.93Å; P340-V459 HydrophobicContact CB-CG1 4.03Å; P340-V459 HydrophobicContact CG-CG1 4.11Å; P340-T462 HydrophobicContact CB-CG2 4.22Å; P340-T462 HydrophobicContact CG-CG2 4.11Å; P340-A463 HydrophobicContact CB-CB 4.04Å
341	V	96.9	Very high	89.9	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.1	-180	-176.5	0	0	0	0	111.2	F215 L216 P217 V218 I228 V339 I343 V387 D388 F389	F215-V341 HydrophobicContact CB-CG2 4.5Å; F215-V341 HydrophobicContact CD1-CG2 4.14Å; L216-V341 PolarHBondContact O-N 3.28Å; L216-V341 VanDerWaalsContact O-N 3.15Å; P217-V341 VanDerWaalsContact CA-O 3.28Å; P217-V341 WeakPolarHBondContact CA-O 3.2Å; P217-V341 HydrophobicContact CB-CB 4Å; P217-V341 HydrophobicContact CB-CG1 4.45Å; V218-V341 PolarHBondContact N-O 2.78Å; V218-V341 VanDerWaalsContact N-O 3.12Å; I228-V341 HydrophobicContact CD1-CG1 4.21Å; V339-V341 HydrophobicContact CG1-CG2 4.19Å; V341-I343 HydrophobicContact CG1-CG1 4.32Å; V341-V387 HydrophobicContact CG1-CG1 3.81Å; V341-D388 WeakPolarHBondContact CA-O 2.93Å; V341-F389 HydrophobicContact CG1-CD1 4.39Å; V341-F389 HydrophobicContact CG1-CE1 4.37Å; V341-F389 HydrophobicContact CG2-CD1 3.76Å; V341-F389 HydrophobicContact CG2-CE1 4.03Å
342	G	95.6	Very high	88.5	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	141.1	171.6	0	0	0	0	0	111.7	V387 D388 A463 S467	G342-V387 WeakPolarHBondContact O-CA 3.32Å; G342-D388 PolarHBondContact N-O 2.59Å; G342-D388 PolarHBondContact O-N 2.78Å; G342-A463 VanDerWaalsContact CA-O 3.26Å; G342-A463 WeakPolarHBondContact CA-O 3.35Å; G342-S467 WeakPolarHBondContact CA-OG 3.45Å
343	I	94.6	Very high	87.5	Confident	0 Å²	0	14.6 Å²	14.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	130.3	175.5	-51.7	177.7	0	0	0	109.4	P217 V218 K220 D224 L227 I228 V341 Y345 V385 R386 V387 S467	P217-I343 HydrophobicContact CB-CD1 4.25Å; V218-I343 HydrophobicContact CG2-CB 4.17Å; V218-I343 HydrophobicContact CG2-CG1 4.48Å; K220-I343 WeakPolarHBondContact CD-O 3.2Å; K220-I343 WeakPolarHBondContact CE-O 3.36Å; K220-I343 PolarHBondContact NZ-O 3.46Å; D224-I343 HydrophobicContact CB-CD1 3.9Å; L227-I343 HydrophobicContact CD2-CG2 4.18Å; I228-I343 HydrophobicContact CD1-CD1 4.23Å; I228-I343 HydrophobicContact CG1-CD1 4.39Å; V341-I343 HydrophobicContact CG1-CG1 4.32Å; I343-Y345 HydrophobicContact CG2-CD2 4.11Å; I343-Y345 HydrophobicContact CG2-CE2 3.38Å; I343-V385 HydrophobicContact CG2-CG1 4.33Å; I343-R386 WeakPolarHBondContact CA-O 3.49Å; I343-V387 HydrophobicContact CG1-CG1 4.47Å; I343-V387 HydrophobicContact CG2-CG2 4.43Å; I343-S467 PolarHBondContact N-OG 2.85Å
344	S	94.3	Very high	86.4	Confident	2 Å²	2	14.8 Å²	14.8	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.9	178.3	-74.4	0	0	0	0	111.9	V385 R386 A468	S344-V385 WeakPolarHBondContact O-CA 3.37Å; S344-V385 WeakPolarHBondContact O-CG1 3.38Å; S344-R386 PolarHBondContact N-O 2.74Å; S344-R386 PolarHBondContact O-N 3.32Å; S344-A468 WeakPolarHBondContact CB-O 3.29Å; S344-A468 PolarHBondContact OG-O 3.45Å
345	Y	93.4	Very high	85.4	Confident	4 Å²	4	13.7 Å²	13.7	2%	0.016	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.5	-175.3	-67.1	-87.7	0	0	0	109.6	F189 K220 D224 I343 R347 I348 V385	F189-Y345 HydrophobicContact CE1-CD1 4.37Å; F189-Y345 HydrophobicContact CZ-CD1 4.31Å; F189-Y345 HydrophobicContact CZ-CE1 4.05Å; K220-Y345 HydrophobicContact CB-CD2 4.34Å; K220-Y345 HydrophobicContact CB-CE2 4.22Å; D224-Y345 WeakPolarHBondContact OD1-CE2 3.1Å; D224-Y345 PolarHBondContact OD1-OH 3.22Å; I343-Y345 HydrophobicContact CG2-CD2 4.11Å; I343-Y345 HydrophobicContact CG2-CE2 3.38Å; Y345-R347 VanDerWaalsContact C-N 3.33Å; Y345-I348 HydrophobicContact CD2-CG1 4.41Å; Y345-I348 HydrophobicContact CG-CG1 4.35Å; Y345-V385 HydrophobicContact CD1-CB 4.24Å; Y345-V385 HydrophobicContact CD1-CG1 3.77Å; Y345-V385 HydrophobicContact CD1-CG2 3.59Å; Y345-V385 HydrophobicContact CE1-CB 4.28Å; Y345-V385 HydrophobicContact CE1-CG1 3.52Å; Y345-V385 HydrophobicContact CE1-CG2 3.72Å; Y345-V385 HydrophobicContact CG-CG1 4.45Å
346	D	91.8	Very high	84.4	Confident	4 Å²	4	13.1 Å²	13.1	2%	0.021	8%	0.081	C	C	.	.	S	Bend	trans	-62.7	-45.7	166.7	-83	-27.1	0	0	0	110.3	C384 M470 T472 L526 Y560	D346-C384 PolarHBondContact N-O 3.01Å; D346-C384 WeakPolarHBondContact OD2-CB 3.23Å; D346-C384 PolarHBondContact OD2-N 3.47Å; D346-M470 HydrophobicContact CB-CE 4.4Å; D346-M470 WeakPolarHBondContact OD1-CE 3.48Å; D346-T472 HydrophobicContact CB-CG2 4.32Å; D346-T472 WeakPolarHBondContact O-CB 3.31Å; D346-T472 VanDerWaalsContact O-CG2 3.3Å; D346-T472 WeakPolarHBondContact O-CG2 3.3Å; D346-T472 PolarHBondContact O-OG1 2.68Å; D346-L526 HydrophobicContact CB-CD1 3.72Å; D346-Y560 WeakPolarHBondContact O-CE1 3.39Å
347	R	89.3	Confident	83.4	Confident	24 Å²	24	13.2 Å²	13.2	9%	0.091	8%	0.081	C	C	.	.	S	Bend	trans	-139.7	128.9	177.7	-167.7	-175.4	-172.5	158.3	17.2	111	Y345 Y382 Y560	Y345-R347 VanDerWaalsContact C-N 3.33Å; R347-Y382 HydrophobicContact CB-CD1 4.31Å; R347-Y382 HydrophobicContact CG-CD1 4.12Å; R347-Y382 PolarHBondContact N-O 3.31Å; R347-Y560 WeakPolarHBondContact CA-OH 3.16Å; R347-Y560 WeakPolarHBondContact CG-OH 3.49Å
348	I	84.3	Confident	82.6	Confident	9 Å²	9	15.6 Å²	15.6	5%	0.046	9%	0.093	C	C	.	.			trans	-77.7	145.4	174.7	-61.3	-163	0	0	0	110.7	K220 Y345 E350 F559 Y560	K220-I348 HydrophobicContact CB-CD1 4.06Å; Y345-I348 HydrophobicContact CD2-CG1 4.41Å; Y345-I348 HydrophobicContact CG-CG1 4.35Å; I348-E350 HydrophobicContact CG2-CB 4.22Å; I348-F559 HydrophobicContact CD1-CD1 4.46Å; I348-F559 HydrophobicContact CD1-CE1 3.22Å; I348-F559 HydrophobicContact CD1-CE2 4.35Å; I348-F559 HydrophobicContact CD1-CZ 3.17Å; I348-F559 HydrophobicContact CG1-CE1 3.91Å; I348-F559 HydrophobicContact CG1-CZ 4.3Å; I348-Y560 PolarHBondContact N-OH 2.92Å; I348-Y560 VanDerWaalsContact N-OH 3.08Å
349	I	74.7	Confident	81.3	Confident	17 Å²	17	16.8 Å²	16.8	9%	0.087	11%	0.106	C	C	.	.	S	Bend	trans	-77.8	-32.1	-174	-78.1	161.6	0	0	0	113.4	F188 F189 I223 G351 M377 Y382	F188-I349 HydrophobicContact CD2-CD1 3.95Å; F188-I349 HydrophobicContact CE2-CD1 3.38Å; F188-I349 HydrophobicContact CZ-CD1 4.17Å; F189-I349 HydrophobicContact CE1-CD1 3.72Å; F189-I349 HydrophobicContact CE2-CD1 4.1Å; F189-I349 HydrophobicContact CZ-CD1 3.31Å; F189-I349 HydrophobicContact CZ-CG1 4.46Å; I223-I349 HydrophobicContact CD1-CB 4Å; I223-I349 HydrophobicContact CD1-CD1 3.13Å; I223-I349 HydrophobicContact CD1-CG1 4.11Å; I223-I349 HydrophobicContact CD1-CG2 3.94Å; I349-G351 PolarHBondContact O-N 3.44Å; I349-M377 HydrophobicContact CB-CE 4.43Å; I349-M377 HydrophobicContact CD1-CE 3.9Å; I349-M377 HydrophobicContact CG1-CE 4.27Å; I349-M377 HydrophobicContact CG2-CE 3.42Å; I349-M377 VanDerWaalsContact CG2-CE 3.42Å; I349-M377 HydrophobicContact CG2-CG 3.83Å; I349-M377 HydrophobicContact CG2-SD 3.42Å; I349-M377 WeakPolarHBondContact CG2-SD 3.46Å; I349-Y382 VanDerWaalsContact CA-CE1 3.49Å; I349-Y382 HydrophobicContact CB-CD1 4.33Å; I349-Y382 HydrophobicContact CB-CE1 4.12Å; I349-Y382 HydrophobicContact CD1-CG 4.32Å; I349-Y382 HydrophobicContact CG1-CD1 3.44Å; I349-Y382 VanDerWaalsContact CG1-CD1 3.44Å; I349-Y382 HydrophobicContact CG1-CD2 4.01Å; I349-Y382 HydrophobicContact CG1-CE1 3.63Å; I349-Y382 HydrophobicContact CG1-CE2 4.15Å; I349-Y382 HydrophobicContact CG1-CG 3.63Å
350	E	69.9	Low	80.2	Confident	21 Å²	21	22.7 Å²	22.7	10%	0.098	13%	0.131	C	C	.	.			trans	-76.5	118.4	-173.9	-72.4	146.5	-146.2	0	0	111.5	S221 H222 R307 I348 N352 Y353	S221-E350 VanDerWaalsContact CA-OE1 3.26Å; S221-E350 WeakPolarHBondContact CA-OE1 3.45Å; S221-E350 WeakPolarHBondContact CB-OE1 3.47Å; S221-E350 PolarHBondContact OG-OE1 2.98Å; H222-E350 VanDerWaalsContact CB-OE1 3.31Å; H222-E350 WeakPolarHBondContact CB-OE1 3.48Å; H222-E350 IonicContact CD2-OE1 3.94Å; H222-E350 IonicContact CD2-OE2 2.7Å; H222-E350 IonicContact CG-OE1 2.97Å; H222-E350 PolarHBondContact N-OE1 3.2Å; R307-E350 WeakPolarHBondContact CD-OE2 3.14Å; R307-E350 IonicContact CZ-OE2 3.09Å; R307-E350 IonicContact NE-OE2 3.24Å; R307-E350 IonicContact NH1-OE2 2.67Å; R307-E350 PolarHBondContact NH1-OE2 3.03Å; I348-E350 HydrophobicContact CG2-CB 4.22Å; E350-N352 VanDerWaalsContact C-N 3.32Å; E350-N352 PolarHBondContact O-N 3.08Å; E350-Y353 WeakPolarHBondContact O-CD1 3.46Å; E350-Y353 WeakPolarHBondContact O-CE1 3.29Å
351	G	58.7	Low	78.7	Confident	49 Å²	49	27.8 Å²	27.8	51%	0.505	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-0.1	177.4	0	0	0	0	0	115.3	I349	I349-G351 PolarHBondContact O-N 3.44Å
352	N	61	Low	77.2	Confident	65 Å²	65	31.2 Å²	31.2	35%	0.348	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-7.8	-169.4	-73.5	4.2	0	0	0	114.2	E350 N354 S355 E356	E350-N352 VanDerWaalsContact C-N 3.32Å; E350-N352 PolarHBondContact O-N 3.08Å; N352-N354 VanDerWaalsContact C-N 3.33Å; N352-N354 PolarHBondContact O-N 2.76Å; N352-S355 PolarHBondContact O-N 2.6Å; N352-S355 VanDerWaalsContact O-N 3.16Å; N352-S355 PolarHBondContact O-OG 2.65Å; N352-E356 PolarHBondContact O-N 3.48Å
353	Y	67.4	Low	75.7	Confident	14 Å²	14	38 Å²	38	6%	0.055	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-39.3	-178.5	60.6	-92	0	0	0	112	E350 S355 E356 Q357 E556	E350-Y353 WeakPolarHBondContact O-CD1 3.46Å; E350-Y353 WeakPolarHBondContact O-CE1 3.29Å; Y353-S355 VanDerWaalsContact C-N 3.29Å; Y353-S355 PolarHBondContact O-N 2.64Å; Y353-E356 CarbonylContact O-C 3.56Å; Y353-E356 PolarHBondContact O-N 3.02Å; Y353-E356 VanDerWaalsContact O-N 3.09Å; Y353-Q357 WeakPolarHBondContact O-CB 3.35Å; Y353-Q357 WeakPolarHBondContact O-CG 3.35Å; Y353-Q357 PolarHBondContact O-N 3.04Å; Y353-E556 HydrophobicContact CE2-CB 4.08Å; Y353-E556 HydrophobicContact CE2-CG 4.24Å; Y353-E556 WeakPolarHBondContact OH-CG 3.2Å; Y353-E556 PolarHBondContact OH-OE1 3.13Å; Y353-E556 PolarHBondContact OH-OE2 3.16Å
354	N	70.6	Confident	74.2	Confident	21 Å²	21	43.7 Å²	43.7	11%	0.112	24%	0.241	C	C	.	.	H	α-helix	trans	-58.1	-42.9	175.1	-81.2	-12.7	0	0	0	111.4	N352 E356 Q357 L358 P552 E556	N352-N354 VanDerWaalsContact C-N 3.33Å; N352-N354 PolarHBondContact O-N 2.76Å; N354-E356 VanDerWaalsContact C-N 3.35Å; N354-E356 PolarHBondContact O-N 2.64Å; N354-Q357 PolarHBondContact O-N 2.9Å; N354-L358 WeakPolarHBondContact O-CB 3.3Å; N354-L358 VanDerWaalsContact O-CG 3.22Å; N354-L358 WeakPolarHBondContact O-CG 3.38Å; N354-L358 PolarHBondContact O-N 3.38Å; N354-P552 PolarHBondContact ND2-O 2.8Å; N354-P552 VanDerWaalsContact ND2-O 3.17Å; N354-E556 PolarHBondContact ND2-OE2 3.31Å
355	S	70.4	Confident	72.8	Confident	37 Å²	37	47.1 Å²	47.1	26%	0.259	26%	0.257	S	S	.	.	H	α-helix	trans	-65.8	-36.2	176.8	67.3	0	0	0	0	113.1	N352 Y353 L358 K360	N352-S355 PolarHBondContact O-N 2.6Å; N352-S355 VanDerWaalsContact O-N 3.16Å; N352-S355 PolarHBondContact O-OG 2.65Å; Y353-S355 VanDerWaalsContact C-N 3.29Å; Y353-S355 PolarHBondContact O-N 2.64Å; S355-L358 WeakPolarHBondContact O-CB 3.35Å; S355-L358 PolarHBondContact O-N 3.43Å; S355-K360 VanDerWaalsContact O-CB 3.23Å; S355-K360 WeakPolarHBondContact O-CB 3.34Å; S355-K360 WeakPolarHBondContact O-CG 3.38Å; S355-K360 PolarHBondContact O-N 3.37Å; S355-K360 VanDerWaalsContact O-N 3.08Å
356	E	74.2	Confident	71.7	Confident	7 Å²	7	50.2 Å²	50.2	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-73.6	-34.7	176.6	-69.3	-179	-164.4	0	0	112.5	R307 R309 N352 Y353 N354 L358 G359	R307-E356 IonicContact CZ-OE1 3.73Å; R307-E356 VanDerWaalsContact NH2-CD 3.34Å; R307-E356 IonicContact NH2-OE1 3.96Å; R307-E356 PolarHBondContact NH2-OE1 3.33Å; R307-E356 IonicContact NH2-OE2 2.73Å; R309-E356 IonicContact CZ-OE2 2.6Å; R309-E356 IonicContact NE-OE2 3.32Å; R309-E356 PolarHBondContact NE-OE2 3.15Å; R309-E356 IonicContact NH2-OE2 3.2Å; R309-E356 PolarHBondContact NH2-OE2 2.97Å; N352-E356 PolarHBondContact O-N 3.48Å; Y353-E356 CarbonylContact O-C 3.56Å; Y353-E356 PolarHBondContact O-N 3.02Å; Y353-E356 VanDerWaalsContact O-N 3.09Å; N354-E356 VanDerWaalsContact C-N 3.35Å; N354-E356 PolarHBondContact O-N 2.64Å; E356-L358 VanDerWaalsContact C-N 3.26Å; E356-G359 PolarHBondContact O-N 2.92Å; E356-G359 VanDerWaalsContact O-N 3.09Å
357	Q	76.9	Confident	70.6	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.009	29%	0.294	C	S	.	.	H	α-helix	trans	-69.3	-25.3	171	-75.5	-169	-18	0	0	112	R309 Y353 N354 G359 F555 F746 H766	R309-Q357 PolarHBondContact O-NE2 2.97Å; Y353-Q357 WeakPolarHBondContact O-CB 3.35Å; Y353-Q357 WeakPolarHBondContact O-CG 3.35Å; Y353-Q357 PolarHBondContact O-N 3.04Å; N354-Q357 PolarHBondContact O-N 2.9Å; Q357-G359 PolarHBondContact O-N 3.22Å; Q357-F555 HydrophobicContact CB-CD2 3.76Å; Q357-F555 HydrophobicContact CB-CE2 4.11Å; Q357-F746 WeakPolarHBondContact O-CE2 3.33Å; Q357-H766 WeakPolarHBondContact O-CB 3.38Å; Q357-H766 PolarHBondContact O-N 3.24Å; Q357-H766 VanDerWaalsContact O-N 3.14Å
358	L	79.5	Confident	69.9	Low	50 Å²	50	62.7 Å²	62.7	26%	0.262	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	9.6	168.3	-70.1	168.8	0	0	0	113.2	N354 S355 E356 K360 V551 F555 F746 L750	N354-L358 WeakPolarHBondContact O-CB 3.3Å; N354-L358 VanDerWaalsContact O-CG 3.22Å; N354-L358 WeakPolarHBondContact O-CG 3.38Å; N354-L358 PolarHBondContact O-N 3.38Å; S355-L358 WeakPolarHBondContact O-CB 3.35Å; S355-L358 PolarHBondContact O-N 3.43Å; E356-L358 VanDerWaalsContact C-N 3.26Å; L358-K360 VanDerWaalsContact C-N 3.28Å; L358-K360 PolarHBondContact O-N 3.29Å; L358-V551 HydrophobicContact CD2-CG1 4.08Å; L358-F555 HydrophobicContact CD2-CD2 4.49Å; L358-F555 HydrophobicContact CD2-CE2 3.96Å; L358-F555 HydrophobicContact CG-CE2 4.37Å; L358-F746 VanDerWaalsContact C-CZ 3.41Å; L358-F746 VanDerWaalsContact O-CE1 3.27Å; L358-F746 WeakPolarHBondContact O-CE1 3.23Å; L358-L750 HydrophobicContact CD2-CD1 4.45Å
359	G	69.7	Low	69.4	Low	25 Å²	25	64 Å²	64	26%	0.258	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	5	176.8	0	0	0	0	0	114.8	E356 Q357	E356-G359 PolarHBondContact O-N 2.92Å; E356-G359 VanDerWaalsContact O-N 3.09Å; Q357-G359 PolarHBondContact O-N 3.22Å
360	K	74.1	Confident	69.4	Low	124 Å²	124	65.2 Å²	65.2	54%	0.539	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-66.2	140.1	174.9	-60.5	-173.3	-179.4	176.8	0	109.6	S355 L358	S355-K360 VanDerWaalsContact O-CB 3.23Å; S355-K360 WeakPolarHBondContact O-CB 3.34Å; S355-K360 WeakPolarHBondContact O-CG 3.38Å; S355-K360 PolarHBondContact O-N 3.37Å; S355-K360 VanDerWaalsContact O-N 3.08Å; L358-K360 VanDerWaalsContact C-N 3.28Å; L358-K360 PolarHBondContact O-N 3.29Å
361	P	65.9	Low	69.6	Low	108 Å²	108	66.9 Å²	66.9	70%	0.701	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-60.6	147.9	179.7	26	-34.1	0	0	0	110	Q363	P361-Q363 PolarHBondContact O-N 2.85Å; P361-Q363 VanDerWaalsContact O-N 3.07Å
362	K	65.6	Low	70.4	Confident	73 Å²	73	67.3 Å²	67.3	32%	0.317	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-59.1	117.6	174.6	-179.2	173.2	-178.9	166.6	0	108.4
363	Q	63	Low	71.1	Confident	143 Å²	143	64.8 Å²	64.8	67%	0.668	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-81.9	132.9	172	-63.2	-167.5	3.7	0	0	108.9	P361	P361-Q363 PolarHBondContact O-N 2.85Å; P361-Q363 VanDerWaalsContact O-N 3.07Å
364	N	62.6	Low	71.5	Confident	118 Å²	118	66.4 Å²	66.4	63%	0.631	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-67.5	133.1	169	-67.4	-23.6	0	0	0	108	S366	N364-S366 PolarHBondContact O-N 3.45Å
365	E	65.7	Low	71.9	Confident	75 Å²	75	71 Å²	71	35%	0.35	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-69.5	133.3	178.6	-62.1	-173.2	172.9	0	0	109.3	H222 I250 I370	H222-E365 IonicContact CD2-OE1 2.92Å; I250-E365 HydrophobicContact CD1-CB 4.47Å; I250-E365 WeakPolarHBondContact CD1-O 3.49Å; E365-I370 HydrophobicContact CB-CD1 4.18Å; E365-I370 HydrophobicContact CB-CG1 4.04Å
366	S	70.9	Confident	72.2	Confident	68 Å²	68	75.6 Å²	75.6	48%	0.476	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-90.2	153.9	172.8	70.1	0	0	0	0	110.1	N364 W368 G369 I370	N364-S366 PolarHBondContact O-N 3.45Å; S366-W368 VanDerWaalsContact C-N 3.26Å; S366-W368 PolarHBondContact O-N 3.36Å; S366-G369 CarbonylContact O-C 3.53Å; S366-G369 WeakPolarHBondContact O-CA 3.46Å; S366-G369 PolarHBondContact O-N 3.26Å; S366-G369 PolarHBondContact OG-N 3.44Å; S366-I370 WeakPolarHBondContact O-CG1 3.08Å; S366-I370 PolarHBondContact O-N 2.86Å
367	W	68.9	Low	72.3	Confident	88 Å²	88	76.3 Å²	76.3	33%	0.333	40%	0.396	S	S	.	.	H	α-helix	trans	-48.7	-48.4	173	-85.1	111.1	0	0	0	113.9	I250 P251 I252 L253 G369 I370 A371	I250-W367 HydrophobicContact CB-CZ2 3.9Å; I250-W367 HydrophobicContact CG2-CD2 4.25Å; I250-W367 HydrophobicContact CG2-CG 3.99Å; I250-W367 HydrophobicContact CG2-CZ2 4.26Å; I250-W367 WeakPolarHBondContact O-CZ2 3.37Å; P251-W367 WeakPolarHBondContact O-CZ2 3.39Å; P251-W367 PolarHBondContact O-NE1 3.14Å; I252-W367 HydrophobicContact CB-CH2 3.41Å; I252-W367 VanDerWaalsContact CB-CH2 3.41Å; I252-W367 HydrophobicContact CB-CZ2 3.58Å; I252-W367 HydrophobicContact CB-CZ3 4.17Å; I252-W367 HydrophobicContact CG2-CH2 3.71Å; I252-W367 HydrophobicContact CG2-CZ2 4.39Å; I252-W367 HydrophobicContact CG2-CZ3 4.2Å; L253-W367 VanDerWaalsContact CA-CH2 3.44Å; L253-W367 HydrophobicContact CB-CH2 3.23Å; L253-W367 HydrophobicContact CB-CZ2 3.37Å; L253-W367 HydrophobicContact CB-CZ3 4.26Å; L253-W367 HydrophobicContact CG-CH2 4.48Å; W367-G369 VanDerWaalsContact C-N 3.31Å; W367-I370 PolarHBondContact O-N 3.02Å; W367-A371 PolarHBondContact O-N 3.43Å
368	W	73.4	Confident	72.5	Confident	203 Å²	203	79.7 Å²	79.7	77%	0.769	41%	0.414	S	S	*	.	H	α-helix	trans	-65.4	-38.5	178.3	-166.3	-105.4	0	0	0	111.5	S366 A371 C372	S366-W368 VanDerWaalsContact C-N 3.26Å; S366-W368 PolarHBondContact O-N 3.36Å; W368-A371 PolarHBondContact O-N 2.93Å; W368-C372 PolarHBondContact NE1-SG 3.26Å; W368-C372 VanDerWaalsContact NE1-SG 3.44Å; W368-C372 VanDerWaalsContact O-CB 3.28Å; W368-C372 WeakPolarHBondContact O-CB 3.4Å; W368-C372 PolarHBondContact O-N 3.39Å; W368-C372 PolarHBondContact O-SG 3.42Å
369	G	74.1	Confident	72.4	Confident	37 Å²	37	86.3 Å²	86.3	38%	0.381	44%	0.435	S	S	.	.	H	α-helix	trans	-60.5	-42.8	173.6	0	0	0	0	0	112.8	S366 W367 G373	S366-G369 CarbonylContact O-C 3.53Å; S366-G369 WeakPolarHBondContact O-CA 3.46Å; S366-G369 PolarHBondContact O-N 3.26Å; S366-G369 PolarHBondContact OG-N 3.44Å; W367-G369 VanDerWaalsContact C-N 3.31Å; G369-G373 WeakPolarHBondContact O-CA 3.26Å; G369-G373 PolarHBondContact O-N 3.28Å
370	I	73.8	Confident	72.9	Confident	41 Å²	41	88.4 Å²	88.4	21%	0.21	44%	0.437	C	S	.	.	H	α-helix	trans	-66	-48.6	176.2	-65	170	0	0	0	110.4	I250 L253 E365 S366 W367 G373 V374	I250-I370 HydrophobicContact CD1-CD1 3.52Å; L253-I370 HydrophobicContact CD2-CD1 4.11Å; E365-I370 HydrophobicContact CB-CD1 4.18Å; E365-I370 HydrophobicContact CB-CG1 4.04Å; S366-I370 WeakPolarHBondContact O-CG1 3.08Å; S366-I370 PolarHBondContact O-N 2.86Å; W367-I370 PolarHBondContact O-N 3.02Å; I370-G373 CarbonylContact O-C 3.59Å; I370-G373 WeakPolarHBondContact O-CA 3.31Å; I370-G373 PolarHBondContact O-N 3.24Å; I370-G373 VanDerWaalsContact O-N 3.09Å; I370-V374 HydrophobicContact CG2-CG2 4.44Å; I370-V374 WeakPolarHBondContact O-CG2 3.33Å; I370-V374 PolarHBondContact O-N 2.9Å
371	A	75.7	Confident	73.3	Confident	56 Å²	56	85.6 Å²	85.6	46%	0.463	43%	0.428	S	S	.	.	H	α-helix	trans	-61.6	-47.1	-179.6	0	0	0	0	0	112.1	W367 W368 G373 V374 F375	W367-A371 PolarHBondContact O-N 3.43Å; W368-A371 PolarHBondContact O-N 2.93Å; A371-G373 VanDerWaalsContact C-N 3.25Å; A371-G373 PolarHBondContact O-N 3.18Å; A371-V374 PolarHBondContact O-N 3.06Å; A371-F375 PolarHBondContact O-N 2.96Å
372	C	75.7	Confident	74.3	Confident	58 Å²	58	80.8 Å²	80.8	39%	0.392	40%	0.396	S	S	.	.	H	α-helix	trans	-61.7	-37	172.7	-67.3	0	0	0	0	111.6	W368 F375 R376	W368-C372 PolarHBondContact NE1-SG 3.26Å; W368-C372 VanDerWaalsContact NE1-SG 3.44Å; W368-C372 VanDerWaalsContact O-CB 3.28Å; W368-C372 WeakPolarHBondContact O-CB 3.4Å; W368-C372 PolarHBondContact O-N 3.39Å; W368-C372 PolarHBondContact O-SG 3.42Å; C372-F375 PolarHBondContact O-N 2.72Å; C372-R376 VanDerWaalsContact O-CB 3.31Å; C372-R376 WeakPolarHBondContact O-CB 3.3Å; C372-R376 PolarHBondContact O-N 2.81Å
373	G	74.6	Confident	75.5	Confident	13 Å²	13	77.3 Å²	77.3	13%	0.134	38%	0.381	C	S	.	.	H	α-helix	trans	-57.2	-55.8	173.8	0	0	0	0	0	111.6	G369 I370 A371 F375 R376 M377	G369-G373 WeakPolarHBondContact O-CA 3.26Å; G369-G373 PolarHBondContact O-N 3.28Å; I370-G373 CarbonylContact O-C 3.59Å; I370-G373 WeakPolarHBondContact O-CA 3.31Å; I370-G373 PolarHBondContact O-N 3.24Å; I370-G373 VanDerWaalsContact O-N 3.09Å; A371-G373 VanDerWaalsContact C-N 3.25Å; A371-G373 PolarHBondContact O-N 3.18Å; G373-F375 VanDerWaalsContact C-N 3.32Å; G373-F375 PolarHBondContact O-N 3.37Å; G373-R376 CarbonylContact O-C 3.29Å; G373-R376 WeakPolarHBondContact O-CB 3.42Å; G373-R376 PolarHBondContact O-N 3.34Å; G373-R376 VanDerWaalsContact O-N 3.15Å; G373-M377 WeakPolarHBondContact O-CB 3.38Å; G373-M377 WeakPolarHBondContact O-CG 3.44Å; G373-M377 PolarHBondContact O-N 3.34Å
374	V	76.1	Confident	76.9	Confident	48 Å²	48	71 Å²	71	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-57.6	-43.5	178.1	173.4	0	0	0	0	111.3	L184 I370 A371 R376 M377 L378	L184-V374 HydrophobicContact CD2-CG1 4.2Å; I370-V374 HydrophobicContact CG2-CG2 4.44Å; I370-V374 WeakPolarHBondContact O-CG2 3.33Å; I370-V374 PolarHBondContact O-N 2.9Å; A371-V374 PolarHBondContact O-N 3.06Å; V374-R376 PolarHBondContact O-N 2.86Å; V374-M377 WeakPolarHBondContact O-CB 3.45Å; V374-M377 PolarHBondContact O-N 2.95Å; V374-M377 VanDerWaalsContact O-N 3.16Å; V374-L378 HydrophobicContact CG1-CD1 4.31Å; V374-L378 WeakPolarHBondContact O-CG 3.5Å; V374-L378 PolarHBondContact O-N 3.15Å
375	F	79.3	Confident	78.5	Confident	116 Å²	116	65.4 Å²	65.4	51%	0.509	32%	0.322	S	S	.	.	H	α-helix	trans	-65.4	-40.1	177.8	-174.1	-110	0	0	0	112.8	A371 C372 G373 M377 R379	A371-F375 PolarHBondContact O-N 2.96Å; C372-F375 PolarHBondContact O-N 2.72Å; G373-F375 VanDerWaalsContact C-N 3.32Å; G373-F375 PolarHBondContact O-N 3.37Å; F375-M377 VanDerWaalsContact C-N 3.3Å; F375-R379 VanDerWaalsContact CZ-CZ 3.48Å
376	R	77.6	Confident	79.9	Confident	135 Å²	135	61.9 Å²	61.9	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-65.7	-34.1	172.3	-177.3	174.5	64.2	173.3	-1.2	112	C372 G373 V374 R379	C372-R376 VanDerWaalsContact O-CB 3.31Å; C372-R376 WeakPolarHBondContact O-CB 3.3Å; C372-R376 PolarHBondContact O-N 2.81Å; G373-R376 CarbonylContact O-C 3.29Å; G373-R376 WeakPolarHBondContact O-CB 3.42Å; G373-R376 PolarHBondContact O-N 3.34Å; G373-R376 VanDerWaalsContact O-N 3.15Å; V374-R376 PolarHBondContact O-N 2.86Å; R376-R379 PolarHBondContact O-N 3.48Å
377	M	76.2	Confident	81.1	Confident	22 Å²	22	58.7 Å²	58.7	11%	0.108	28%	0.283	C	S	.	.	H	α-helix	trans	-67.9	-44.3	178.4	-71.4	162.7	58.5	0	0	111.5	F188 I223 I349 G373 V374 F375 R379 K380 Y382	F188-M377 WeakPolarHBondContact CB-O 3.46Å; F188-M377 HydrophobicContact CD1-CB 4.43Å; F188-M377 HydrophobicContact CD1-CE 4.2Å; F188-M377 HydrophobicContact CD2-CE 4.4Å; F188-M377 HydrophobicContact CE1-CE 3.72Å; F188-M377 HydrophobicContact CE2-CE 3.93Å; F188-M377 HydrophobicContact CZ-CE 3.56Å; I223-M377 HydrophobicContact CD1-CE 4.03Å; I349-M377 HydrophobicContact CB-CE 4.43Å; I349-M377 HydrophobicContact CD1-CE 3.9Å; I349-M377 HydrophobicContact CG1-CE 4.27Å; I349-M377 HydrophobicContact CG2-CE 3.42Å; I349-M377 VanDerWaalsContact CG2-CE 3.42Å; I349-M377 HydrophobicContact CG2-CG 3.83Å; I349-M377 HydrophobicContact CG2-SD 3.42Å; I349-M377 WeakPolarHBondContact CG2-SD 3.46Å; G373-M377 WeakPolarHBondContact O-CB 3.38Å; G373-M377 WeakPolarHBondContact O-CG 3.44Å; G373-M377 PolarHBondContact O-N 3.34Å; V374-M377 WeakPolarHBondContact O-CB 3.45Å; V374-M377 PolarHBondContact O-N 2.95Å; V374-M377 VanDerWaalsContact O-N 3.16Å; F375-M377 VanDerWaalsContact C-N 3.3Å; M377-R379 PolarHBondContact O-N 3.05Å; M377-K380 PolarHBondContact O-N 3.47Å; M377-Y382 HydrophobicContact CB-CE2 3.97Å; M377-Y382 HydrophobicContact CG-CE2 4.08Å
378	L	79.8	Confident	82.3	Confident	73 Å²	73	54.5 Å²	54.5	38%	0.382	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.8	177.4	-71.2	169.5	0	0	0	113.8	L184 F188 V374	L184-L378 HydrophobicContact CD2-CD1 4.15Å; L184-L378 HydrophobicContact CD2-CD2 4.09Å; L184-L378 HydrophobicContact CD2-CG 4.5Å; F188-L378 HydrophobicContact CD1-CD2 4.21Å; V374-L378 HydrophobicContact CG1-CD1 4.31Å; V374-L378 WeakPolarHBondContact O-CG 3.5Å; V374-L378 PolarHBondContact O-N 3.15Å
379	R	78.4	Confident	83.4	Confident	188 Å²	188	44.8 Å²	44.8	71%	0.709	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.2	175.7	-67.9	176.7	173.8	-177	-9.6	113.6	F375 R376 M377	F375-R379 VanDerWaalsContact CZ-CZ 3.48Å; R376-R379 PolarHBondContact O-N 3.48Å; M377-R379 PolarHBondContact O-N 3.05Å
380	K	80.1	Confident	84.5	Confident	69 Å²	69	43.1 Å²	43.1	30%	0.3	21%	0.213	S	C	.	.	S	Bend	trans	-125.6	147.5	-175.3	-70.7	-173.4	177.1	-171.2	0	110.8	M377 Y382	M377-K380 PolarHBondContact O-N 3.47Å; K380-Y382 HydrophobicContact CB-CD2 4.36Å; K380-Y382 HydrophobicContact CB-CE2 3.74Å
381	N	82.4	Confident	85.5	Confident	65 Å²	65	41.2 Å²	41.2	35%	0.348	20%	0.203	S	C	.	.			trans	-93.6	125.2	170.1	-169.2	-6.4	0	0	0	109.4	G383	N381-G383 PolarHBondContact OD1-N 2.94Å
382	Y	87.2	Confident	86.5	Confident	8 Å²	8	38.5 Å²	38.5	3%	0.031	18%	0.181	C	C	.	.			trans	-102.3	7.5	177.6	-69	-87.4	0	0	0	113.1	F188 R347 I349 M377 K380	F188-Y382 HydrophobicContact CB-CD2 4.06Å; F188-Y382 HydrophobicContact CB-CE2 4.44Å; F188-Y382 AromaticContact CD2-CD2 3.98Å; F188-Y382 HydrophobicContact CD2-CD2 3.98Å; F188-Y382 HydrophobicContact CG-CD2 4.38Å; F188-Y382 PolarHBondContact O-N 3.36Å; R347-Y382 HydrophobicContact CB-CD1 4.31Å; R347-Y382 HydrophobicContact CG-CD1 4.12Å; R347-Y382 PolarHBondContact N-O 3.31Å; I349-Y382 VanDerWaalsContact CA-CE1 3.49Å; I349-Y382 HydrophobicContact CB-CD1 4.33Å; I349-Y382 HydrophobicContact CB-CE1 4.12Å; I349-Y382 HydrophobicContact CD1-CG 4.32Å; I349-Y382 HydrophobicContact CG1-CD1 3.44Å; I349-Y382 VanDerWaalsContact CG1-CD1 3.44Å; I349-Y382 HydrophobicContact CG1-CD2 4.01Å; I349-Y382 HydrophobicContact CG1-CE1 3.63Å; I349-Y382 HydrophobicContact CG1-CE2 4.15Å; I349-Y382 HydrophobicContact CG1-CG 3.63Å; M377-Y382 HydrophobicContact CB-CE2 3.97Å; M377-Y382 HydrophobicContact CG-CE2 4.08Å; K380-Y382 HydrophobicContact CB-CD2 4.36Å; K380-Y382 HydrophobicContact CB-CE2 3.74Å
383	G	90.9	Very high	87.5	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.164	C	C	.	.			trans	74.5	-146.4	178.1	0	0	0	0	0	112.3	W190 N381	W190-G383 PolarHBondContact N-O 3.36Å; N381-G383 PolarHBondContact OD1-N 2.94Å
384	C	92.8	Very high	88.5	Confident	11 Å²	11	36 Å²	36	7%	0.074	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	151.3	-176.7	-61.5	0	0	0	0	111.6	S191 D346 M470	S191-C384 WeakPolarHBondContact O-CA 3.39Å; S191-C384 PolarHBondContact OG-SG 3Å; D346-C384 PolarHBondContact N-O 3.01Å; D346-C384 WeakPolarHBondContact OD2-CB 3.23Å; D346-C384 PolarHBondContact OD2-N 3.47Å; C384-M470 HydrophobicContact CB-CE 4.11Å
385	V	95	Very high	89.4	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.4	169.5	-170.7	0	0	0	0	108.2	F189 S191 I192 Q193 L227 I343 S344 Y345 V387	F189-V385 HydrophobicContact CD1-CG2 3.53Å; F189-V385 HydrophobicContact CD2-CG2 4.06Å; F189-V385 HydrophobicContact CE1-CG2 3.28Å; F189-V385 HydrophobicContact CE2-CG2 3.8Å; F189-V385 HydrophobicContact CG-CG2 3.92Å; F189-V385 HydrophobicContact CZ-CG2 3.41Å; F189-V385 VanDerWaalsContact CZ-CG2 3.41Å; S191-V385 PolarHBondContact O-N 2.89Å; I192-V385 CarbonylContact C-O 3.58Å; I192-V385 WeakPolarHBondContact CA-O 3.2Å; I192-V385 HydrophobicContact CG1-CB 4.29Å; I192-V385 HydrophobicContact CG1-CG2 4.48Å; Q193-V385 PolarHBondContact N-O 2.72Å; L227-V385 HydrophobicContact CD2-CG1 3.72Å; I343-V385 HydrophobicContact CG2-CG1 4.33Å; S344-V385 WeakPolarHBondContact O-CA 3.37Å; S344-V385 WeakPolarHBondContact O-CG1 3.38Å; Y345-V385 HydrophobicContact CD1-CB 4.24Å; Y345-V385 HydrophobicContact CD1-CG1 3.77Å; Y345-V385 HydrophobicContact CD1-CG2 3.59Å; Y345-V385 HydrophobicContact CE1-CB 4.28Å; Y345-V385 HydrophobicContact CE1-CG1 3.52Å; Y345-V385 HydrophobicContact CE1-CG2 3.72Å; Y345-V385 HydrophobicContact CG-CG1 4.45Å; V385-V387 HydrophobicContact CG1-CG2 4.4Å
386	R	94.6	Very high	90.2	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.7	175.1	-179.5	50.8	180	-93.4	-10.3	109.5	Q193 I343 S344 D388 A468 M470 D509	Q193-R386 VanDerWaalsContact O-CD 3.24Å; Q193-R386 WeakPolarHBondContact O-CD 3.32Å; I343-R386 WeakPolarHBondContact CA-O 3.49Å; S344-R386 PolarHBondContact N-O 2.74Å; S344-R386 PolarHBondContact O-N 3.32Å; R386-D388 WeakPolarHBondContact CG-OD2 3.26Å; R386-D388 IonicContact CZ-OD1 4Å; R386-D388 VanDerWaalsContact CZ-OD1 3.26Å; R386-D388 IonicContact NE-OD1 3.53Å; R386-D388 PolarHBondContact NE-OD1 2.96Å; R386-D388 IonicContact NE-OD2 2.86Å; R386-D388 IonicContact NH2-OD1 3.26Å; R386-D388 PolarHBondContact NH2-OD1 3.28Å; R386-A468 HydrophobicContact CB-CB 4.19Å; R386-A468 HydrophobicContact CG-CB 3.47Å; R386-A468 VanDerWaalsContact CG-CB 3.47Å; R386-M470 HydrophobicContact CB-SD 4.14Å; R386-D509 IonicContact CZ-OD2 3.21Å; R386-D509 IonicContact NH1-OD2 2.74Å; R386-D509 IonicContact NH2-OD2 3.45Å; R386-D509 PolarHBondContact NH2-OD2 3.45Å
387	V	95.9	Very high	91	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124	175.3	-176.1	0	0	0	0	108.6	Q193 I194 L227 I231 V341 G342 I343 V385 F389	Q193-V387 PolarHBondContact O-N 3.33Å; I194-V387 HydrophobicContact CG1-CB 4.25Å; L227-V387 HydrophobicContact CD2-CG2 3.44Å; L227-V387 VanDerWaalsContact CD2-CG2 3.44Å; L227-V387 HydrophobicContact CG-CG2 3.94Å; I231-V387 HydrophobicContact CD1-CB 3.99Å; I231-V387 HydrophobicContact CD1-CG1 4.03Å; I231-V387 HydrophobicContact CD1-CG2 3.76Å; V341-V387 HydrophobicContact CG1-CG1 3.81Å; G342-V387 WeakPolarHBondContact O-CA 3.32Å; I343-V387 HydrophobicContact CG1-CG1 4.47Å; I343-V387 HydrophobicContact CG2-CG2 4.43Å; V385-V387 HydrophobicContact CG1-CG2 4.4Å; V387-F389 HydrophobicContact CG1-CD2 4.29Å; V387-F389 HydrophobicContact CG1-CE2 3.76Å; V387-F389 HydrophobicContact CG1-CZ 4.14Å
388	D	95.6	Very high	91.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.7	-178.1	-64.5	-67.1	0	0	0	109.4	Q198 V341 G342 R386 S466 A468	Q198-D388 PolarHBondContact OE1-OD1 3.11Å; V341-D388 WeakPolarHBondContact CA-O 2.93Å; G342-D388 PolarHBondContact N-O 2.59Å; G342-D388 PolarHBondContact O-N 2.78Å; R386-D388 WeakPolarHBondContact CG-OD2 3.26Å; R386-D388 IonicContact CZ-OD1 4Å; R386-D388 VanDerWaalsContact CZ-OD1 3.26Å; R386-D388 IonicContact NE-OD1 3.53Å; R386-D388 PolarHBondContact NE-OD1 2.96Å; R386-D388 IonicContact NE-OD2 2.86Å; R386-D388 IonicContact NH2-OD1 3.26Å; R386-D388 PolarHBondContact NH2-OD1 3.28Å; D388-S466 WeakPolarHBondContact CB-O 3.43Å; D388-A468 PolarHBondContact OD2-N 3.26Å
389	F	96.3	Very high	92.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.9	174.8	-68.6	-92.5	0	0	0	109.3	I194 Q198 L199 V202 F215 I228 I231 L232 V339 V341 V387	I194-F389 HydrophobicContact CD1-CE2 4.28Å; I194-F389 HydrophobicContact CG2-CD2 4.21Å; I194-F389 HydrophobicContact CG2-CE2 4.35Å; Q198-F389 HydrophobicContact CB-CB 4.18Å; Q198-F389 VanDerWaalsContact CB-O 3.23Å; Q198-F389 WeakPolarHBondContact CB-O 3.22Å; Q198-F389 VanDerWaalsContact CD-O 3.28Å; Q198-F389 WeakPolarHBondContact CG-O 3.39Å; L199-F389 HydrophobicContact CD1-CE2 4.46Å; V202-F389 HydrophobicContact CG2-CB 3.94Å; V202-F389 HydrophobicContact CG2-CD1 4.23Å; V202-F389 HydrophobicContact CG2-CG 4.27Å; F215-F389 HydrophobicContact CD1-CD1 4.27Å; F215-F389 HydrophobicContact CD1-CE1 4.06Å; F215-F389 HydrophobicContact CE1-CD1 4.15Å; F215-F389 HydrophobicContact CE1-CE1 4Å; I228-F389 HydrophobicContact CG2-CE1 4.32Å; I228-F389 HydrophobicContact CG2-CZ 4.47Å; I231-F389 HydrophobicContact CG2-CE2 3.79Å; I231-F389 HydrophobicContact CG2-CZ 3.89Å; L232-F389 HydrophobicContact CD2-CE1 4.24Å; L232-F389 HydrophobicContact CD2-CZ 4.35Å; V339-F389 HydrophobicContact CG1-CD1 4.25Å; V341-F389 HydrophobicContact CG1-CD1 4.39Å; V341-F389 HydrophobicContact CG1-CE1 4.37Å; V341-F389 HydrophobicContact CG2-CD1 3.76Å; V341-F389 HydrophobicContact CG2-CE1 4.03Å; V387-F389 HydrophobicContact CG1-CD2 4.29Å; V387-F389 HydrophobicContact CG1-CE2 3.76Å; V387-F389 HydrophobicContact CG1-CZ 4.14Å
390	N	96.3	Very high	93.1	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.011	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-82.4	158.9	176.2	-60.1	35.3	0	0	0	109.8	G57 P340 P392 T462 S466	G57-N390 CarbonylContact O-C 3.4Å; G57-N390 VanDerWaalsContact O-CA 3.22Å; G57-N390 WeakPolarHBondContact O-CA 3.43Å; G57-N390 WeakPolarHBondContact O-CB 3.49Å; P340-N390 HydrophobicContact CB-CB 3.91Å; P340-N390 HydrophobicContact CG-CB 4.1Å; P340-N390 VanDerWaalsContact O-CB 3.3Å; P340-N390 WeakPolarHBondContact O-CB 3.45Å; P340-N390 PolarHBondContact O-N 3.19Å; P340-N390 PolarHBondContact O-OD1 3.41Å; N390-P392 WeakPolarHBondContact O-CD 3.47Å; N390-T462 WeakPolarHBondContact ND2-CG2 3.48Å; N390-T462 PolarHBondContact ND2-O 2.91Å; N390-T462 VanDerWaalsContact ND2-O 3.12Å; N390-S466 VanDerWaalsContact CG-OG 3.27Å; N390-S466 WeakPolarHBondContact ND2-CB 3.42Å; N390-S466 PolarHBondContact ND2-OG 2.93Å; N390-S466 VanDerWaalsContact OD1-CB 3.3Å; N390-S466 WeakPolarHBondContact OD1-CB 3.47Å; N390-S466 PolarHBondContact OD1-OG 3.36Å
391	Q	95.6	Very high	93.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-55	122.9	177.2	-179.7	173.5	0.5	0	0	109.7	G57 C59 S67 W68 L71 M201 F393	G57-Q391 PolarHBondContact O-N 3.08Å; C59-Q391 HydrophobicContact CB-CB 4.27Å; C59-Q391 HydrophobicContact CB-CG 4.41Å; S67-Q391 PolarHBondContact O-NE2 3.41Å; W68-Q391 PolarHBondContact O-NE2 3.44Å; L71-Q391 HydrophobicContact CB-CG 4.25Å; M201-Q391 HydrophobicContact CE-CB 3.85Å; M201-Q391 HydrophobicContact SD-CB 4.05Å; M201-Q391 HydrophobicContact SD-CG 4.07Å; Q391-F393 PolarHBondContact O-N 2.93Å
392	P	96.3	Very high	93.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-58.9	138.4	173.9	-22.1	32.3	0	0	0	110.7	L71 V202 A205 L337 V338 V339 N390	L71-P392 HydrophobicContact CD1-CB 3.98Å; L71-P392 HydrophobicContact CD1-CG 4.34Å; L71-P392 WeakPolarHBondContact CD1-O 3.31Å; V202-P392 HydrophobicContact CG2-CG 4.16Å; A205-P392 HydrophobicContact CB-CB 4.14Å; A205-P392 HydrophobicContact CB-CG 3.93Å; L337-P392 HydrophobicContact CB-CB 4.34Å; L337-P392 HydrophobicContact CD1-CB 4.49Å; V338-P392 WeakPolarHBondContact O-CA 3.47Å; V339-P392 HydrophobicContact CG2-CB 3.92Å; V339-P392 HydrophobicContact CG2-CG 3.95Å; N390-P392 WeakPolarHBondContact O-CD 3.47Å
393	F	96	Very high	93.5	Very high	9 Å²	9	19.8 Å²	19.8	4%	0.039	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152	175.3	66.6	-94.9	0	0	0	112.1	C59 T64 L337 V338 P340 Q391 Y398 L455 V459	C59-F393 HydrophobicContact CB-CB 4.02Å; C59-F393 HydrophobicContact CB-CD1 4.19Å; C59-F393 HydrophobicContact CB-CG 4.46Å; T64-F393 HydrophobicContact CG2-CB 4.04Å; T64-F393 HydrophobicContact CG2-CD2 3.68Å; T64-F393 HydrophobicContact CG2-CE2 4.43Å; T64-F393 HydrophobicContact CG2-CG 4.1Å; L337-F393 CarbonylContact C-O 3.6Å; L337-F393 WeakPolarHBondContact CA-O 3.5Å; V338-F393 HydrophobicContact CB-CD1 4.3Å; V338-F393 HydrophobicContact CB-CD2 4.21Å; V338-F393 HydrophobicContact CB-CE1 3.82Å; V338-F393 HydrophobicContact CB-CE2 3.73Å; V338-F393 HydrophobicContact CB-CZ 3.52Å; V338-F393 HydrophobicContact CG1-CE1 3.74Å; V338-F393 HydrophobicContact CG1-CE2 4.19Å; V338-F393 HydrophobicContact CG1-CZ 3.49Å; V338-F393 VanDerWaalsContact CG1-CZ 3.49Å; V338-F393 HydrophobicContact CG2-CE2 4.14Å; V338-F393 HydrophobicContact CG2-CZ 4.27Å; V338-F393 PolarHBondContact N-O 3.15Å; V338-F393 WeakPolarHBondContact O-CD1 3.4Å; V338-F393 PolarHBondContact O-N 3.46Å; V338-F393 VanDerWaalsContact O-N 3.08Å; P340-F393 HydrophobicContact CG-CE1 3.93Å; Q391-F393 PolarHBondContact O-N 2.93Å; F393-Y398 HydrophobicContact CE2-CD2 4.34Å; F393-Y398 HydrophobicContact CE2-CG 4.47Å; F393-L455 HydrophobicContact CE2-CD1 4.17Å; F393-L455 HydrophobicContact CZ-CD1 4.12Å; F393-V459 HydrophobicContact CE1-CG2 4.48Å; F393-V459 HydrophobicContact CZ-CG2 4.03Å
394	S	96.3	Very high	92.9	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.063	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	125.7	177.5	170.2	0	0	0	0	111.2	S67 D335 K396 E397 Y398	S67-S394 PolarHBondContact OG-N 3.45Å; D335-S394 PolarHBondContact OD1-OG 3.25Å; D335-S394 VanDerWaalsContact OD1-OG 3.13Å; D335-S394 VanDerWaalsContact OD2-CB 3.25Å; D335-S394 WeakPolarHBondContact OD2-CB 3.25Å; D335-S394 PolarHBondContact OD2-OG 2.69Å; S394-K396 VanDerWaalsContact C-N 3.35Å; S394-K396 PolarHBondContact OG-N 3.12Å; S394-E397 PolarHBondContact OG-N 3.44Å; S394-E397 VanDerWaalsContact OG-N 3.11Å; S394-Y398 PolarHBondContact O-N 2.93Å
395	L	95.8	Very high	92	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.6	-39.2	173.4	179.8	57.1	0	0	0	110.9	V324 V325 L328 D335 V336 V338 Y398 L399 L455	V324-L395 HydrophobicContact CG1-CD2 3.74Å; V325-L395 HydrophobicContact CG2-CD1 4.34Å; V325-L395 HydrophobicContact CG2-CD2 4.09Å; L328-L395 HydrophobicContact CD2-CB 4.04Å; L328-L395 HydrophobicContact CD2-CD2 3.9Å; L328-L395 HydrophobicContact CD2-CG 3.69Å; D335-L395 PolarHBondContact OD1-N 2.85Å; V336-L395 HydrophobicContact CB-CB 4.24Å; V336-L395 HydrophobicContact CB-CD2 4.28Å; V336-L395 VanDerWaalsContact O-CB 3.26Å; V336-L395 WeakPolarHBondContact O-CB 3.26Å; V336-L395 PolarHBondContact O-N 2.87Å; V338-L395 HydrophobicContact CG2-CB 4.12Å; V338-L395 HydrophobicContact CG2-CD1 4.34Å; L395-Y398 WeakPolarHBondContact O-CB 3.49Å; L395-Y398 PolarHBondContact O-N 3.36Å; L395-L399 HydrophobicContact CD1-CD1 4.49Å; L395-L399 HydrophobicContact CD1-CG 4.25Å; L395-L399 HydrophobicContact CG-CD1 4.28Å; L395-L399 HydrophobicContact CG-CG 4.47Å; L395-L399 WeakPolarHBondContact O-CG 3.32Å; L395-L399 PolarHBondContact O-N 2.92Å; L395-L455 HydrophobicContact CD1-CD2 3.35Å
396	K	94.8	Very high	90.3	Very high	106 Å²	106	36.7 Å²	36.7	46%	0.461	18%	0.176	S	C	.	.	H	α-helix	trans	-59.1	-49.9	177.3	-176.8	179	176.8	-177.3	0	111.3	L328 D335 S394 Y398 L399 D400	L328-K396 HydrophobicContact CD2-CB 4.1Å; D335-K396 HydrophobicContact CB-CB 4.37Å; D335-K396 WeakPolarHBondContact OD1-CB 3.49Å; D335-K396 PolarHBondContact OD1-N 2.72Å; S394-K396 VanDerWaalsContact C-N 3.35Å; S394-K396 PolarHBondContact OG-N 3.12Å; K396-Y398 VanDerWaalsContact C-N 3.3Å; K396-Y398 PolarHBondContact O-N 2.86Å; K396-L399 PolarHBondContact O-N 3.16Å; K396-L399 VanDerWaalsContact O-N 3.15Å; K396-D400 PolarHBondContact O-N 3Å
397	E	94.9	Very high	88.5	Confident	14 Å²	14	39.4 Å²	39.4	7%	0.065	19%	0.193	C	C	.	.	H	α-helix	trans	-56.3	-44.2	176.5	-176.8	-168.9	169.8	0	0	112.2	T64 P65 Q66 S67 S394 D400 T401	T64-E397 WeakPolarHBondContact CA-OE1 3.45Å; P65-E397 VanDerWaalsContact CD-OE1 3.29Å; P65-E397 WeakPolarHBondContact CD-OE1 3.42Å; Q66-E397 WeakPolarHBondContact CA-OE1 3.45Å; Q66-E397 VanDerWaalsContact CB-OE1 3.31Å; Q66-E397 WeakPolarHBondContact CB-OE1 3.4Å; Q66-E397 PolarHBondContact N-OE1 3.2Å; S67-E397 VanDerWaalsContact CB-OE2 3.23Å; S67-E397 WeakPolarHBondContact CB-OE2 3.45Å; S67-E397 PolarHBondContact N-OE1 2.92Å; S67-E397 PolarHBondContact N-OE2 3.24Å; S67-E397 PolarHBondContact OG-OE2 3.21Å; S394-E397 PolarHBondContact OG-N 3.44Å; S394-E397 VanDerWaalsContact OG-N 3.11Å; E397-D400 PolarHBondContact O-N 3.35Å; E397-T401 WeakPolarHBondContact O-CB 3.49Å; E397-T401 PolarHBondContact O-N 2.73Å; E397-T401 PolarHBondContact O-OG1 3.33Å
398	Y	94.3	Very high	86.6	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-59.5	-48.1	176.7	179.1	-85.3	0	0	0	111.3	C63 T64 F393 S394 L395 K396 T401 Q402 V451 L455	C63-Y398 HydrophobicContact CB-CD2 3.79Å; C63-Y398 HydrophobicContact CB-CE2 3.83Å; T64-Y398 HydrophobicContact CG2-CD2 4.19Å; F393-Y398 HydrophobicContact CE2-CD2 4.34Å; F393-Y398 HydrophobicContact CE2-CG 4.47Å; S394-Y398 PolarHBondContact O-N 2.93Å; L395-Y398 WeakPolarHBondContact O-CB 3.49Å; L395-Y398 PolarHBondContact O-N 3.36Å; K396-Y398 VanDerWaalsContact C-N 3.3Å; K396-Y398 PolarHBondContact O-N 2.86Å; Y398-T401 PolarHBondContact O-N 2.91Å; Y398-Q402 HydrophobicContact CD1-CG 3.95Å; Y398-Q402 HydrophobicContact CE1-CG 3.48Å; Y398-Q402 VanDerWaalsContact CE1-CG 3.48Å; Y398-Q402 HydrophobicContact CE2-CG 4.43Å; Y398-Q402 WeakPolarHBondContact O-CG 3.08Å; Y398-Q402 PolarHBondContact O-N 2.81Å; Y398-V451 HydrophobicContact CE1-CG1 4.42Å; Y398-L455 HydrophobicContact CD1-CB 4.49Å; Y398-L455 HydrophobicContact CD1-CD1 3.85Å; Y398-L455 HydrophobicContact CD2-CD1 4.21Å; Y398-L455 HydrophobicContact CE1-CB 3.74Å; Y398-L455 HydrophobicContact CE1-CD1 3.73Å; Y398-L455 HydrophobicContact CE1-CG 4.2Å; Y398-L455 HydrophobicContact CE2-CD1 4.07Å; Y398-L455 HydrophobicContact CG-CD1 4.11Å; Y398-L455 WeakPolarHBondContact OH-CA 3.11Å; Y398-L455 PolarHBondContact OH-N 3.49Å
399	L	92.2	Very high	84.7	Confident	11 Å²	11	48.3 Å²	48.3	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-41.4	-179	-66.3	176.7	0	0	0	112.2	V325 L328 L329 L395 K396 T401 Q402 R403 V451	V325-L399 HydrophobicContact CG1-CD1 4.05Å; V325-L399 HydrophobicContact CG1-CD2 4.33Å; L328-L399 HydrophobicContact CD2-CD1 3.83Å; L329-L399 HydrophobicContact CD2-CD1 4.2Å; L395-L399 HydrophobicContact CD1-CD1 4.49Å; L395-L399 HydrophobicContact CD1-CG 4.25Å; L395-L399 HydrophobicContact CG-CD1 4.28Å; L395-L399 HydrophobicContact CG-CG 4.47Å; L395-L399 WeakPolarHBondContact O-CG 3.32Å; L395-L399 PolarHBondContact O-N 2.92Å; K396-L399 PolarHBondContact O-N 3.16Å; K396-L399 VanDerWaalsContact O-N 3.15Å; L399-T401 VanDerWaalsContact C-N 3.33Å; L399-Q402 PolarHBondContact O-N 2.79Å; L399-R403 WeakPolarHBondContact O-CG 3.38Å; L399-R403 PolarHBondContact O-N 3.31Å; L399-V451 HydrophobicContact CD2-CG1 3.46Å; L399-V451 VanDerWaalsContact CD2-CG1 3.46Å
400	D	91.1	Very high	83.1	Confident	77 Å²	77	53.2 Å²	53.2	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-63.4	-41.8	177.4	-68.6	-22.3	0	0	0	110.7	K396 E397 R403 S404	K396-D400 PolarHBondContact O-N 3Å; E397-D400 PolarHBondContact O-N 3.35Å; D400-R403 PolarHBondContact O-N 3.49Å; D400-S404 PolarHBondContact O-N 2.67Å
401	T	90.6	Very high	81.7	Confident	27 Å²	27	57.6 Å²	57.6	17%	0.166	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-42.1	175.3	-54.8	0	0	0	0	111.8	C63 E397 Y398 L399 R403 S404 R405	C63-T401 PolarHBondContact O-OG1 2.97Å; E397-T401 WeakPolarHBondContact O-CB 3.49Å; E397-T401 PolarHBondContact O-N 2.73Å; E397-T401 PolarHBondContact O-OG1 3.33Å; Y398-T401 PolarHBondContact O-N 2.91Å; L399-T401 VanDerWaalsContact C-N 3.33Å; T401-R403 VanDerWaalsContact C-N 3.33Å; T401-R403 PolarHBondContact O-N 2.85Å; T401-S404 PolarHBondContact O-N 3.42Å; T401-S404 PolarHBondContact O-OG 2.94Å; T401-R405 PolarHBondContact O-N 3.39Å
402	Q	86.4	Confident	80.8	Confident	9 Å²	9	60 Å²	60	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-67.1	-31.5	177.8	-67.8	-55	-67.5	0	0	113	Y398 L399 S404 R405 V451	Y398-Q402 HydrophobicContact CD1-CG 3.95Å; Y398-Q402 HydrophobicContact CE1-CG 3.48Å; Y398-Q402 VanDerWaalsContact CE1-CG 3.48Å; Y398-Q402 HydrophobicContact CE2-CG 4.43Å; Y398-Q402 WeakPolarHBondContact O-CG 3.08Å; Y398-Q402 PolarHBondContact O-N 2.81Å; L399-Q402 PolarHBondContact O-N 2.79Å; Q402-S404 VanDerWaalsContact C-N 3.28Å; Q402-S404 PolarHBondContact O-N 3.39Å; Q402-R405 PolarHBondContact O-N 2.9Å; Q402-V451 HydrophobicContact CB-CG1 4.33Å; Q402-V451 HydrophobicContact CB-CG2 4.45Å; Q402-V451 HydrophobicContact CG-CG1 4.45Å
403	R	82.1	Confident	80	Confident	138 Å²	138	61.2 Å²	61.2	52%	0.521	33%	0.332	S	S	.	.	H	α-helix	trans	-64.5	-33.1	173.8	-77.4	172.4	170.5	-178.4	-6.4	112.9	L399 D400 T401 R405 F447	L399-R403 WeakPolarHBondContact O-CG 3.38Å; L399-R403 PolarHBondContact O-N 3.31Å; D400-R403 PolarHBondContact O-N 3.49Å; T401-R403 VanDerWaalsContact C-N 3.33Å; T401-R403 PolarHBondContact O-N 2.85Å; R403-R405 VanDerWaalsContact C-N 3.3Å; R403-F447 HydrophobicContact CG-CE1 3.87Å; R403-F447 HydrophobicContact CG-CZ 3.87Å
404	S	77.8	Confident	79.2	Confident	96 Å²	96	64.5 Å²	64.5	67%	0.671	35%	0.348	S	S	*	.	H	α-helix	trans	-76.2	-16.3	177.1	69.9	0	0	0	0	113.9	D400 T401 Q402	D400-S404 PolarHBondContact O-N 2.67Å; T401-S404 PolarHBondContact O-N 3.42Å; T401-S404 PolarHBondContact O-OG 2.94Å; Q402-S404 VanDerWaalsContact C-N 3.28Å; Q402-S404 PolarHBondContact O-N 3.39Å
405	R	74.3	Confident	78.4	Confident	74 Å²	74	69.4 Å²	69.4	28%	0.279	37%	0.374	S	S	.	.	S	Bend	trans	-93.1	124.4	-179.8	-69.3	173.7	177.6	-134	-8.7	109.7	S62 T401 Q402 R403 V407	S62-R405 VanDerWaalsContact CB-NH2 3.26Å; S62-R405 PolarHBondContact O-NH2 3.03Å; T401-R405 PolarHBondContact O-N 3.39Å; Q402-R405 PolarHBondContact O-N 2.9Å; R403-R405 VanDerWaalsContact C-N 3.3Å; R405-V407 HydrophobicContact CB-CG2 4.37Å; R405-V407 PolarHBondContact O-N 2.98Å
406	H	60.3	Low	77.6	Confident	195 Å²	195	70.4 Å²	70.4	90%	0.903	38%	0.382	S	S	*	.			trans	-66.5	114.7	161.5	-105.5	72.3	0	0	0	108
407	V	55.9	Low	77.1	Confident	59 Å²	59	65.4 Å²	65.4	36%	0.358	36%	0.36	S	S	.	.			trans	-108	114.8	172.8	-175.4	0	0	0	0	106.9	R405 H450	R405-V407 HydrophobicContact CB-CG2 4.37Å; R405-V407 PolarHBondContact O-N 2.98Å; V407-H450 WeakPolarHBondContact CG1-NE2 3.34Å
408	P	56.2	Low	76.5	Confident	80 Å²	80	65.8 Å²	65.8	52%	0.519	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-59.6	146.3	177.5	21.9	-30.1	0	0	0	110
409	P	56.1	Low	75.8	Confident	106 Å²	106	68 Å²	68	69%	0.688	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-58.9	143.8	178.6	25	-32.7	0	0	0	110	V411	P409-V411 PolarHBondContact O-N 2.94Å; P409-V411 VanDerWaalsContact O-N 3.07Å
410	P	62.1	Low	75.1	Confident	104 Å²	104	71.9 Å²	71.9	68%	0.675	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-63.4	116.4	179.8	25	-32.2	0	0	0	110.2
411	V	66.1	Low	74.6	Confident	93 Å²	93	68.6 Å²	68.6	56%	0.564	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-65.4	137.7	171.6	-174.1	0	0	0	0	109.1	P409 N415 A416	P409-V411 PolarHBondContact O-N 2.94Å; P409-V411 VanDerWaalsContact O-N 3.07Å; V411-N415 HydrophobicContact CG1-CB 3.87Å; V411-A416 HydrophobicContact CG1-CB 4.28Å
412	S	76.5	Confident	74.1	Confident	52 Å²	52	68.8 Å²	68.8	36%	0.364	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-66.4	148.5	176.1	68.9	0	0	0	0	110.4	E414 N415 A416	S412-E414 PolarHBondContact O-N 3.11Å; S412-N415 PolarHBondContact O-N 3.43Å; S412-N415 VanDerWaalsContact O-N 3.16Å; S412-N415 VanDerWaalsContact OG-CB 3.32Å; S412-N415 WeakPolarHBondContact OG-CB 3.28Å; S412-N415 PolarHBondContact OG-N 3.14Å; S412-N415 VanDerWaalsContact OG-N 3.13Å; S412-N415 PolarHBondContact OG-ND2 3.22Å; S412-N415 PolarHBondContact OG-OD1 2.98Å; S412-A416 PolarHBondContact O-N 2.8Å
413	L	79.6	Confident	72.9	Confident	24 Å²	24	71.7 Å²	71.7	13%	0.126	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-37.2	177.8	-173.3	68.4	0	0	0	111.6	A416 L417 H615 T775 E778 L779	L413-A416 PolarHBondContact O-N 3.48Å; L413-L417 HydrophobicContact CD1-CD1 3.48Å; L413-L417 VanDerWaalsContact CD1-CD1 3.48Å; L413-L417 HydrophobicContact CD1-CG 4.1Å; L413-L417 HydrophobicContact CG-CD1 3.99Å; L413-L417 WeakPolarHBondContact O-CB 3.37Å; L413-L417 PolarHBondContact O-N 3.42Å; L413-L417 VanDerWaalsContact O-N 3.08Å; L413-H615 HydrophobicContact CD1-CB 4.16Å; L413-H615 VanDerWaalsContact CD1-O 3.24Å; L413-H615 WeakPolarHBondContact CD1-O 3.5Å; L413-T775 HydrophobicContact CD2-CG2 3.88Å; L413-E778 HydrophobicContact CB-CB 4.25Å; L413-E778 HydrophobicContact CD2-CB 3.91Å; L413-L779 HydrophobicContact CD2-CB 4.3Å; L413-L779 HydrophobicContact CG-CD1 4.33Å
414	E	79.8	Confident	71.4	Confident	79 Å²	79	69 Å²	69	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-56.1	-53.5	172.8	-169.3	176.2	-178.8	0	0	111.5	S412 A416 L417 M418 E778	S412-E414 PolarHBondContact O-N 3.11Å; E414-A416 VanDerWaalsContact C-N 3.3Å; E414-A416 PolarHBondContact O-N 3.11Å; E414-L417 PolarHBondContact O-N 2.86Å; E414-M418 HydrophobicContact CB-CG 4.31Å; E414-M418 HydrophobicContact CG-CG 3.53Å; E414-M418 WeakPolarHBondContact O-CB 3.41Å; E414-M418 WeakPolarHBondContact O-CG 3.33Å; E414-M418 PolarHBondContact O-N 3.25Å; E414-E778 PolarHBondContact N-O 3.43Å
415	N	80.2	Confident	69.8	Low	112 Å²	112	71 Å²	71	60%	0.599	40%	0.401	S	S	*	.	H	α-helix	trans	-65.5	-35.3	-178.3	-66.8	-0.2	0	0	0	112.1	V411 S412 P419	V411-N415 HydrophobicContact CG1-CB 3.87Å; S412-N415 PolarHBondContact O-N 3.43Å; S412-N415 VanDerWaalsContact O-N 3.16Å; S412-N415 VanDerWaalsContact OG-CB 3.32Å; S412-N415 WeakPolarHBondContact OG-CB 3.28Å; S412-N415 PolarHBondContact OG-N 3.14Å; S412-N415 VanDerWaalsContact OG-N 3.13Å; S412-N415 PolarHBondContact OG-ND2 3.22Å; S412-N415 PolarHBondContact OG-OD1 2.98Å; N415-P419 WeakPolarHBondContact O-CD 3.32Å
416	A	79.3	Confident	68.3	Low	20 Å²	20	71.7 Å²	71.7	17%	0.165	42%	0.422	C	S	.	.	H	α-helix	trans	-72.1	-32.5	-179	0	0	0	0	0	113.6	V411 S412 L413 E414 Y420	V411-A416 HydrophobicContact CG1-CB 4.28Å; S412-A416 PolarHBondContact O-N 2.8Å; L413-A416 PolarHBondContact O-N 3.48Å; E414-A416 VanDerWaalsContact C-N 3.3Å; E414-A416 PolarHBondContact O-N 3.11Å; A416-Y420 WeakPolarHBondContact O-CD2 3.37Å; A416-Y420 WeakPolarHBondContact O-CE2 3.43Å
417	L	83.7	Confident	67.6	Low	1 Å²	1	65.5 Å²	65.5	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-116.3	-24.7	-169.5	-65.2	-177.1	0	0	0	115.1	L413 E414 P419 Y420 I421 G612 H615 F616 L779	L413-L417 HydrophobicContact CD1-CD1 3.48Å; L413-L417 VanDerWaalsContact CD1-CD1 3.48Å; L413-L417 HydrophobicContact CD1-CG 4.1Å; L413-L417 HydrophobicContact CG-CD1 3.99Å; L413-L417 WeakPolarHBondContact O-CB 3.37Å; L413-L417 PolarHBondContact O-N 3.42Å; L413-L417 VanDerWaalsContact O-N 3.08Å; E414-L417 PolarHBondContact O-N 2.86Å; L417-P419 VanDerWaalsContact C-CD 3.49Å; L417-Y420 PolarHBondContact O-N 2.9Å; L417-Y420 VanDerWaalsContact O-N 3.14Å; L417-I421 HydrophobicContact CB-CD1 4.06Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.44Å; L417-G612 WeakPolarHBondContact CD2-O 3.4Å; L417-H615 HydrophobicContact CD1-CB 4.35Å; L417-H615 HydrophobicContact CD2-CB 4.11Å; L417-H615 HydrophobicContact CG-CB 4.36Å; L417-F616 HydrophobicContact CD1-CB 3.88Å; L417-F616 HydrophobicContact CD1-CD2 4.14Å; L417-L779 HydrophobicContact CB-CD1 3.8Å; L417-L779 HydrophobicContact CD1-CD1 4.14Å
418	M	82.5	Confident	67.2	Low	23 Å²	23	65.7 Å²	65.7	11%	0.113	41%	0.409	C	S	.	.	H	α-helix	trans	-61.6	-37.2	-176.8	-70.7	-67.8	-79.6	0	0	114.1	E414 Y420 I421 I422 L779 T798 F799	E414-M418 HydrophobicContact CB-CG 4.31Å; E414-M418 HydrophobicContact CG-CG 3.53Å; E414-M418 WeakPolarHBondContact O-CB 3.41Å; E414-M418 WeakPolarHBondContact O-CG 3.33Å; E414-M418 PolarHBondContact O-N 3.25Å; M418-Y420 PolarHBondContact O-N 3.46Å; M418-I421 PolarHBondContact O-N 3.36Å; M418-I422 HydrophobicContact CE-CD1 3.28Å; M418-I422 HydrophobicContact CE-CG1 4.12Å; M418-I422 PolarHBondContact O-N 2.92Å; M418-I422 HydrophobicContact SD-CD1 4.13Å; M418-I422 HydrophobicContact SD-CG1 4.43Å; M418-L779 HydrophobicContact SD-CD1 4.36Å; M418-L779 HydrophobicContact SD-CG 4.41Å; M418-T798 HydrophobicContact CE-CG2 3.63Å; M418-F799 HydrophobicContact CE-CE2 3.59Å; M418-F799 HydrophobicContact CE-CZ 3.98Å; M418-F799 HydrophobicContact SD-CE2 3.83Å; M418-F799 HydrophobicContact SD-CZ 3.84Å
419	P	79.9	Confident	66.2	Low	49 Å²	49	69.9 Å²	69.9	32%	0.318	42%	0.422	S	S	.	.	H	α-helix	trans	-57.6	-39.4	174.3	-26.8	36.4	0	0	0	112.8	N415 L417 S423	N415-P419 WeakPolarHBondContact O-CD 3.32Å; L417-P419 VanDerWaalsContact C-CD 3.49Å; P419-S423 WeakPolarHBondContact CA-OG 3.25Å; P419-S423 PolarHBondContact O-N 3.22Å; P419-S423 PolarHBondContact O-OG 2.96Å
420	Y	76.3	Confident	65.4	Low	91 Å²	91	69.7 Å²	69.7	36%	0.357	41%	0.41	S	S	.	.	H	α-helix	trans	-74.5	-37.9	179	-63.3	-80.8	0	0	0	113	A416 L417 M418 F430	A416-Y420 WeakPolarHBondContact O-CD2 3.37Å; A416-Y420 WeakPolarHBondContact O-CE2 3.43Å; L417-Y420 PolarHBondContact O-N 2.9Å; L417-Y420 VanDerWaalsContact O-N 3.14Å; M418-Y420 PolarHBondContact O-N 3.46Å; Y420-F430 HydrophobicContact CE2-CE2 4.35Å; Y420-F430 AromaticContact CZ-CE2 4Å; Y420-F430 VanDerWaalsContact OH-CD2 3.23Å; Y420-F430 WeakPolarHBondContact OH-CD2 3.25Å; Y420-F430 WeakPolarHBondContact OH-CE2 3.36Å
421	I	81.5	Confident	64	Low	9 Å²	9	68.9 Å²	68.9	5%	0.046	40%	0.401	C	S	.	.	H	α-helix	trans	-79.9	-40	-175.8	-64.1	171.2	0	0	0	111.8	L417 M418 L779 K807 L808 Y811	L417-I421 HydrophobicContact CB-CD1 4.06Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 3.44Å; M418-I421 PolarHBondContact O-N 3.36Å; I421-L779 HydrophobicContact CD1-CD1 3.97Å; I421-L779 HydrophobicContact CD1-CD2 3.94Å; I421-L779 HydrophobicContact CD1-CG 4.46Å; I421-K807 WeakPolarHBondContact O-CB 3.27Å; I421-L808 HydrophobicContact CD1-CD1 4.28Å; I421-L808 HydrophobicContact CG2-CB 4.3Å; I421-L808 HydrophobicContact CG2-CD1 4.33Å; I421-Y811 HydrophobicContact CD1-CD1 4.18Å; I421-Y811 HydrophobicContact CD1-CE1 4.28Å; I421-Y811 HydrophobicContact CG1-CD1 4.03Å; I421-Y811 HydrophobicContact CG1-CD2 3.99Å; I421-Y811 HydrophobicContact CG1-CE1 4.28Å; I421-Y811 HydrophobicContact CG1-CE2 4.24Å; I421-Y811 HydrophobicContact CG1-CG 3.88Å
422	I	79	Confident	62.7	Low	31 Å²	31	73 Å²	73	16%	0.159	41%	0.414	C	S	.	.	H	α-helix	trans	-103.8	-45.7	-170.4	-60.3	-165.9	0	0	0	112.9	M418 T798 F799 N804 K807	M418-I422 HydrophobicContact CE-CD1 3.28Å; M418-I422 HydrophobicContact CE-CG1 4.12Å; M418-I422 PolarHBondContact O-N 2.92Å; M418-I422 HydrophobicContact SD-CD1 4.13Å; M418-I422 HydrophobicContact SD-CG1 4.43Å; I422-T798 HydrophobicContact CD1-CG2 3.37Å; I422-F799 HydrophobicContact CD1-CE1 4.33Å; I422-F799 HydrophobicContact CD1-CE2 4.29Å; I422-F799 HydrophobicContact CD1-CZ 3.94Å; I422-N804 HydrophobicContact CD1-CB 4.35Å; I422-K807 PolarHBondContact O-NZ 3.05Å
423	S	61.8	Low	60.6	Low	70 Å²	70	77.4 Å²	77.4	49%	0.49	43%	0.429	S	S	.	.	S	Bend	trans	-83.7	-9.4	-169.1	17.3	0	0	0	0	115.3	P419 Q425	P419-S423 WeakPolarHBondContact CA-OG 3.25Å; P419-S423 PolarHBondContact O-N 3.22Å; P419-S423 PolarHBondContact O-OG 2.96Å; S423-Q425 PolarHBondContact O-N 3.05Å; S423-Q425 VanDerWaalsContact O-N 3.13Å
424	A	51	Low	58.6	Low	82 Å²	82	83.2 Å²	83.2	68%	0.678	46%	0.455	S	S	*	.			trans	45.9	42.6	-178.2	0	0	0	0	0	112.3	A426	A424-A426 PolarHBondContact O-N 2.89Å
425	Q	44.1	Very low	56.4	Low	137 Å²	137	87.5 Å²	87.5	64%	0.64	48%	0.475	S	S	*	.			trans	-67.4	120.1	164	-88.1	170.9	-63.3	0	0	106.5	S423	S423-Q425 PolarHBondContact O-N 3.05Å; S423-Q425 VanDerWaalsContact O-N 3.13Å
426	A	41.7	Very low	54.1	Low	88 Å²	88	91 Å²	91	73%	0.727	49%	0.488	S	S	*	.			trans	-54.6	144.4	165.9	0	0	0	0	0	108.3	A424 G428	A424-A426 PolarHBondContact O-N 2.89Å; A426-G428 PolarHBondContact O-N 2.81Å
427	D	47.1	Very low	52	Low	66 Å²	66	94.8 Å²	94.8	35%	0.353	52%	0.519	S	S	.	.	S	Bend	trans	-38.4	129.1	179.5	-66	-49.1	0	0	0	112	R605	D427-R605 HydrophobicContact CB-CG 4.27Å; D427-R605 IonicContact OD2-CZ 3.65Å; D427-R605 IonicContact OD2-NE 3.87Å; D427-R605 PolarHBondContact OD2-NE 2.97Å; D427-R605 IonicContact OD2-NH2 2.67Å; D427-R605 PolarHBondContact OD2-NH2 2.87Å
428	G	46.3	Very low	49.7	Very low	62 Å²	62	102.3 Å²	102.3	64%	0.639	56%	0.556	S	S	*	*			trans	135.6	124.6	172.1	0	0	0	0	0	112.8	A426	A426-G428 PolarHBondContact O-N 2.81Å
429	Q	36.7	Very low	47.5	Very low	169 Å²	169	108.3 Å²	108.3	79%	0.79	59%	0.588	S	S	*	*			trans	80.9	73.6	-177.4	-58	175.4	-13.1	0	0	114.3	D431	Q429-D431 PolarHBondContact O-N 3.22Å
430	F	38.7	Very low	45.8	Very low	101 Å²	101	117.1 Å²	117.1	44%	0.443	62%	0.615	S	S	.	*				-58.1	97.2	122.8	-95	-93.3	0	0	0	104.3	Y420 E432 H608 Y631	Y420-F430 HydrophobicContact CE2-CE2 4.35Å; Y420-F430 AromaticContact CZ-CE2 4Å; Y420-F430 VanDerWaalsContact OH-CD2 3.23Å; Y420-F430 WeakPolarHBondContact OH-CD2 3.25Å; Y420-F430 WeakPolarHBondContact OH-CE2 3.36Å; F430-E432 PolarHBondContact O-N 2.73Å; F430-H608 AromaticContact CD2-CE1 3.6Å; F430-H608 AromaticContact CD2-ND1 3.56Å; F430-H608 AromaticContact CE2-ND1 3.66Å; F430-Y631 VanDerWaalsContact CE2-OH 3.29Å; F430-Y631 WeakPolarHBondContact CE2-OH 3.47Å; F430-Y631 WeakPolarHBondContact CZ-OH 3.33Å
431	D	33.5	Very low	44.3	Very low	88 Å²	88	121.9 Å²	121.9	47%	0.471	64%	0.641	S	S	.	*			trans	-51.6	119.3	164.3	-108.4	-18.7	0	0	0	105.1	Q429 Q433	Q429-D431 PolarHBondContact O-N 3.22Å; D431-Q433 HydrophobicContact CB-CB 4.18Å; D431-Q433 HydrophobicContact CB-CG 3.97Å; D431-Q433 PolarHBondContact O-N 3.37Å; D431-Q433 PolarHBondContact OD2-NE2 3.1Å
432	E	37.2	Very low	43.1	Very low	180 Å²	180	125.9 Å²	125.9	84%	0.841	67%	0.665	S	S	*	*			trans	-63	37.5	161.6	-67.4	-178.5	144.4	0	0	110.4	F430 E434	F430-E432 PolarHBondContact O-N 2.73Å; E432-E434 PolarHBondContact O-N 2.87Å
433	Q	32.5	Very low	42.5	Very low	144 Å²	144	128.3 Å²	128.3	67%	0.673	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	41.3	158.1	-70.6	170.3	15.1	0	0	109.3	D431	D431-Q433 HydrophobicContact CB-CB 4.18Å; D431-Q433 HydrophobicContact CB-CG 3.97Å; D431-Q433 PolarHBondContact O-N 3.37Å; D431-Q433 PolarHBondContact OD2-NE2 3.1Å
434	E	37.2	Very low	42.9	Very low	146 Å²	146	130.7 Å²	130.7	68%	0.682	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-2.4	160	-78.4	-164.5	157.1	0	0	111.7	E432	E432-E434 PolarHBondContact O-N 2.87Å
435	E	34.4	Very low	44.1	Very low	168 Å²	168	131.4 Å²	131.4	79%	0.785	68%	0.68	S	S	*	*	S	Bend	trans	-102.5	-10.7	-178.8	-68.4	-162.1	151	0	0	116.6
436	E	31.3	Very low	45.5	Very low	187 Å²	187	129.4 Å²	129.4	87%	0.874	67%	0.673	S	S	*	*	S	Bend	trans	-101.6	21.6	-177	-72.9	-161.9	161.4	0	0	116
437	A	35.6	Very low	47.2	Very low	98 Å²	98	128.1 Å²	128.1	81%	0.81	65%	0.651	S	S	*	*			trans	-107.9	44.2	164.7	0	0	0	0	0	111.4
438	M	35.4	Very low	48.9	Very low	160 Å²	160	128.5 Å²	128.5	79%	0.788	65%	0.647	S	S	*	*			trans	-70.5	133.7	174.6	-134.8	175.8	72.2	0	0	110.3
439	D	35.5	Very low	50.7	Low	148 Å²	148	132.4 Å²	132.4	79%	0.791	64%	0.643	S	S	*	*			trans	65.2	55.6	170.4	-71.6	-13.6	0	0	0	118.8
440	R	45.1	Very low	53	Low	234 Å²	234	126.6 Å²	126.6	88%	0.883	62%	0.616	S	S	*	*			trans	-111.1	108.4	143.7	-74.5	-174.7	-178.1	173.9	3.3	109.1	V442	R440-V442 PolarHBondContact O-N 2.99Å
441	E	44.6	Very low	55.4	Low	192 Å²	192	122.2 Å²	122.2	90%	0.897	60%	0.597	S	S	*	*			trans	-47.6	105.6	166.4	-72.8	-174.4	161.6	0	0	108.4	P443	E441-P443 WeakPolarHBondContact O-CD 3.21Å
442	V	56.8	Low	58.1	Low	92 Å²	92	118.3 Å²	118.3	56%	0.558	58%	0.576	S	S	*	*			trans	-61	124.6	173.6	175.7	0	0	0	0	105.8	R440 D444 L446 F447	R440-V442 PolarHBondContact O-N 2.99Å; V442-D444 PolarHBondContact O-N 3.25Å; V442-L446 HydrophobicContact CG1-CB 3.73Å; V442-F447 HydrophobicContact CG1-CB 4.39Å
443	P	65.3	Low	60.6	Low	82 Å²	82	112.5 Å²	112.5	53%	0.532	55%	0.551	S	S	.	*			trans	-48.9	130.2	177.1	-27.8	32.3	0	0	0	110.3	E441 E445 L446 F447	E441-P443 WeakPolarHBondContact O-CD 3.21Å; P443-E445 PolarHBondContact O-N 3.45Å; P443-L446 HydrophobicContact CG-CD1 4.28Å; P443-L446 WeakPolarHBondContact O-CB 3.35Å; P443-L446 PolarHBondContact O-N 3.14Å; P443-F447 PolarHBondContact O-N 3.47Å
444	D	71.2	Confident	63.4	Low	120 Å²	120	106.1 Å²	106.1	64%	0.642	52%	0.522	S	S	*	.	H	α-helix	trans	-50	-30.7	-174.5	-175.3	49	0	0	0	112.6	V442 R448	V442-D444 PolarHBondContact O-N 3.25Å; D444-R448 WeakPolarHBondContact O-CB 3.36Å; D444-R448 PolarHBondContact O-N 3.38Å
445	E	75.4	Confident	66	Low	97 Å²	97	99.1 Å²	99.1	45%	0.453	49%	0.49	S	S	.	.	H	α-helix	trans	-66.2	-38.9	174.8	-168.8	176.6	-176.6	0	0	114.3	P443 R448 R449	P443-E445 PolarHBondContact O-N 3.45Å; E445-R448 IonicContact OE1-NH2 3.6Å; E445-R449 WeakPolarHBondContact O-CG 3.19Å; E445-R449 PolarHBondContact O-N 2.99Å; E445-R449 IonicContact OE1-CZ 3.98Å; E445-R449 IonicContact OE1-NE 2.68Å; E445-R449 IonicContact OE1-NH2 2.71Å; E445-R449 PolarHBondContact OE1-NH2 2.7Å
446	L	74.5	Confident	68.9	Low	95 Å²	95	91.1 Å²	91.1	50%	0.497	45%	0.452	S	S	.	.	H	α-helix	trans	-71.2	-43.5	177.7	-71.7	-179.3	0	0	0	111	V442 P443 R448 R449 H450	V442-L446 HydrophobicContact CG1-CB 3.73Å; P443-L446 HydrophobicContact CG-CD1 4.28Å; P443-L446 WeakPolarHBondContact O-CB 3.35Å; P443-L446 PolarHBondContact O-N 3.14Å; L446-R448 VanDerWaalsContact C-N 3.34Å; L446-R448 PolarHBondContact O-N 3.06Å; L446-R449 PolarHBondContact O-N 3.45Å; L446-H450 WeakPolarHBondContact O-CB 3.35Å; L446-H450 PolarHBondContact O-N 2.82Å
447	F	77.1	Confident	71.8	Confident	62 Å²	62	86.9 Å²	86.9	27%	0.272	43%	0.431	S	S	.	.	H	α-helix	trans	-56.9	-49.1	172.6	176.3	-101.3	0	0	0	110.7	R403 V442 P443 R449 H450 V451	R403-F447 HydrophobicContact CG-CE1 3.87Å; R403-F447 HydrophobicContact CG-CZ 3.87Å; V442-F447 HydrophobicContact CG1-CB 4.39Å; P443-F447 PolarHBondContact O-N 3.47Å; F447-R449 PolarHBondContact O-N 3.1Å; F447-H450 WeakPolarHBondContact O-CB 3.32Å; F447-H450 PolarHBondContact O-N 3.01Å; F447-H450 VanDerWaalsContact O-N 3.13Å; F447-V451 HydrophobicContact CD1-CG2 4.15Å; F447-V451 HydrophobicContact CD2-CG2 4.18Å; F447-V451 HydrophobicContact CE1-CG2 3.7Å; F447-V451 HydrophobicContact CE2-CG2 3.74Å; F447-V451 HydrophobicContact CG-CG2 4.37Å; F447-V451 HydrophobicContact CZ-CG2 3.47Å; F447-V451 VanDerWaalsContact CZ-CG2 3.47Å; F447-V451 WeakPolarHBondContact O-CG2 3.49Å; F447-V451 PolarHBondContact O-N 3.31Å
448	R	82.4	Confident	74.5	Confident	73 Å²	73	82.6 Å²	82.6	28%	0.275	39%	0.394	S	S	.	.	H	α-helix	trans	-55.5	-48.3	176.8	-175.7	177.8	64.9	141.2	-3.6	112.3	D326 L329 D444 E445 L446 H450 V451 I452	D326-R448 IonicContact OD1-CZ 3.73Å; D326-R448 IonicContact OD1-NE 3.88Å; D326-R448 IonicContact OD1-NH1 3.19Å; D326-R448 PolarHBondContact OD1-NH1 3.21Å; D326-R448 IonicContact OD2-NH1 3.52Å; D326-R448 PolarHBondContact OD2-NH1 3.38Å; L329-R448 HydrophobicContact CD1-CG 4.42Å; D444-R448 WeakPolarHBondContact O-CB 3.36Å; D444-R448 PolarHBondContact O-N 3.38Å; E445-R448 IonicContact OE1-NH2 3.6Å; L446-R448 VanDerWaalsContact C-N 3.34Å; L446-R448 PolarHBondContact O-N 3.06Å; R448-H450 VanDerWaalsContact C-N 3.33Å; R448-H450 PolarHBondContact O-N 3.01Å; R448-V451 PolarHBondContact O-N 3Å; R448-I452 HydrophobicContact CG-CD1 3.83Å; R448-I452 VanDerWaalsContact O-CD1 3.31Å; R448-I452 WeakPolarHBondContact O-CD1 3.31Å; R448-I452 WeakPolarHBondContact O-CG1 3.4Å; R448-I452 PolarHBondContact O-N 2.98Å
449	R	85.3	Confident	77.4	Confident	144 Å²	144	75 Å²	75	54%	0.543	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-41.1	177.9	-73.4	175.8	-173.2	-179.9	6.7	112	E445 L446 F447 N453	E445-R449 WeakPolarHBondContact O-CG 3.19Å; E445-R449 PolarHBondContact O-N 2.99Å; E445-R449 IonicContact OE1-CZ 3.98Å; E445-R449 IonicContact OE1-NE 2.68Å; E445-R449 IonicContact OE1-NH2 2.71Å; E445-R449 PolarHBondContact OE1-NH2 2.7Å; L446-R449 PolarHBondContact O-N 3.45Å; F447-R449 PolarHBondContact O-N 3.1Å; R449-N453 WeakPolarHBondContact O-CB 3.49Å; R449-N453 PolarHBondContact O-N 2.85Å; R449-N453 VanDerWaalsContact O-N 3.07Å
450	H	84.9	Confident	80.1	Confident	47 Å²	47	68.5 Å²	68.5	22%	0.218	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-52.5	177	179.9	91	0	0	0	110.9	V407 L446 F447 R448 I452 N453 S454	V407-H450 WeakPolarHBondContact CG1-NE2 3.34Å; L446-H450 WeakPolarHBondContact O-CB 3.35Å; L446-H450 PolarHBondContact O-N 2.82Å; F447-H450 WeakPolarHBondContact O-CB 3.32Å; F447-H450 PolarHBondContact O-N 3.01Å; F447-H450 VanDerWaalsContact O-N 3.13Å; R448-H450 VanDerWaalsContact C-N 3.33Å; R448-H450 PolarHBondContact O-N 3.01Å; H450-I452 VanDerWaalsContact C-N 3.33Å; H450-I452 PolarHBondContact O-N 3.46Å; H450-N453 WeakPolarHBondContact O-CB 3.38Å; H450-N453 PolarHBondContact O-N 3.23Å; H450-N453 VanDerWaalsContact O-N 3.09Å; H450-S454 PolarHBondContact NE2-OG 2.73Å; H450-S454 PolarHBondContact O-N 3.28Å; H450-S454 PolarHBondContact O-OG 3.16Å
451	V	87.9	Confident	82.4	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	29%	0.29	C	S	.	.	H	α-helix	trans	-59.1	-42.1	-179.4	174	0	0	0	0	111.9	Y398 L399 Q402 F447 R448 N453 S454 L455	Y398-V451 HydrophobicContact CE1-CG1 4.42Å; L399-V451 HydrophobicContact CD2-CG1 3.46Å; L399-V451 VanDerWaalsContact CD2-CG1 3.46Å; Q402-V451 HydrophobicContact CB-CG1 4.33Å; Q402-V451 HydrophobicContact CB-CG2 4.45Å; Q402-V451 HydrophobicContact CG-CG1 4.45Å; F447-V451 HydrophobicContact CD1-CG2 4.15Å; F447-V451 HydrophobicContact CD2-CG2 4.18Å; F447-V451 HydrophobicContact CE1-CG2 3.7Å; F447-V451 HydrophobicContact CE2-CG2 3.74Å; F447-V451 HydrophobicContact CG-CG2 4.37Å; F447-V451 HydrophobicContact CZ-CG2 3.47Å; F447-V451 VanDerWaalsContact CZ-CG2 3.47Å; F447-V451 WeakPolarHBondContact O-CG2 3.49Å; F447-V451 PolarHBondContact O-N 3.31Å; R448-V451 PolarHBondContact O-N 3Å; V451-N453 PolarHBondContact O-N 3.12Å; V451-S454 PolarHBondContact O-N 3.34Å; V451-L455 WeakPolarHBondContact O-CB 3.07Å; V451-L455 PolarHBondContact O-N 3.31Å
452	I	91.1	Very high	84.8	Confident	7 Å²	7	51.4 Å²	51.4	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-41.5	177.5	-60.8	160.1	0	0	0	110.7	A318 L321 V325 R448 H450 L455 A456	A318-I452 HydrophobicContact CB-CG2 3.64Å; L321-I452 HydrophobicContact CB-CG2 4.24Å; L321-I452 HydrophobicContact CD2-CG2 4.13Å; L321-I452 HydrophobicContact CG-CG2 4.11Å; V325-I452 HydrophobicContact CB-CD1 4.39Å; V325-I452 HydrophobicContact CB-CG1 4.12Å; V325-I452 HydrophobicContact CG1-CD1 4.28Å; V325-I452 HydrophobicContact CG1-CG1 3.99Å; V325-I452 HydrophobicContact CG2-CG1 4.13Å; R448-I452 HydrophobicContact CG-CD1 3.83Å; R448-I452 VanDerWaalsContact O-CD1 3.31Å; R448-I452 WeakPolarHBondContact O-CD1 3.31Å; R448-I452 WeakPolarHBondContact O-CG1 3.4Å; R448-I452 PolarHBondContact O-N 2.98Å; H450-I452 VanDerWaalsContact C-N 3.33Å; H450-I452 PolarHBondContact O-N 3.46Å; I452-L455 PolarHBondContact O-N 3.07Å; I452-A456 WeakPolarHBondContact O-CB 3.34Å; I452-A456 PolarHBondContact O-N 2.91Å
453	N	89.9	Confident	86.6	Confident	58 Å²	58	47.1 Å²	47.1	31%	0.31	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-42.8	177.1	-172.2	43.4	0	0	0	111.6	R449 H450 V451 A456 K457	R449-N453 WeakPolarHBondContact O-CB 3.49Å; R449-N453 PolarHBondContact O-N 2.85Å; R449-N453 VanDerWaalsContact O-N 3.07Å; H450-N453 WeakPolarHBondContact O-CB 3.38Å; H450-N453 PolarHBondContact O-N 3.23Å; H450-N453 VanDerWaalsContact O-N 3.09Å; V451-N453 PolarHBondContact O-N 3.12Å; N453-A456 PolarHBondContact O-N 3.29Å; N453-K457 WeakPolarHBondContact O-CG 3.28Å; N453-K457 PolarHBondContact O-N 3.48Å
454	S	90.1	Very high	87.9	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.063	21%	0.206	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.5	-64.4	0	0	0	0	111.2	H450 V451 A456 K457 H458 P626	H450-S454 PolarHBondContact NE2-OG 2.73Å; H450-S454 PolarHBondContact O-N 3.28Å; H450-S454 PolarHBondContact O-OG 3.16Å; V451-S454 PolarHBondContact O-N 3.34Å; S454-A456 VanDerWaalsContact C-N 3.34Å; S454-A456 PolarHBondContact O-N 3.31Å; S454-K457 PolarHBondContact O-N 3.44Å; S454-H458 VanDerWaalsContact O-CB 3.25Å; S454-H458 WeakPolarHBondContact O-CB 3.45Å; S454-H458 PolarHBondContact O-N 2.95Å; S454-P626 VanDerWaalsContact O-CG 3.24Å; S454-P626 WeakPolarHBondContact O-CG 3.38Å
455	L	93.3	Very high	89	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-46.2	172.8	177.3	62.2	0	0	0	111.7	L321 V325 F393 L395 Y398 V451 I452 K457 H458 V459	L321-L455 HydrophobicContact CD1-CD2 4.05Å; L321-L455 HydrophobicContact CD2-CB 4.34Å; L321-L455 HydrophobicContact CD2-CD2 3.88Å; L321-L455 HydrophobicContact CD2-CG 3.97Å; L321-L455 HydrophobicContact CG-CD2 4.16Å; V325-L455 HydrophobicContact CG2-CD2 4.35Å; F393-L455 HydrophobicContact CE2-CD1 4.17Å; F393-L455 HydrophobicContact CZ-CD1 4.12Å; L395-L455 HydrophobicContact CD1-CD2 3.35Å; Y398-L455 HydrophobicContact CD1-CB 4.49Å; Y398-L455 HydrophobicContact CD1-CD1 3.85Å; Y398-L455 HydrophobicContact CD2-CD1 4.21Å; Y398-L455 HydrophobicContact CE1-CB 3.74Å; Y398-L455 HydrophobicContact CE1-CD1 3.73Å; Y398-L455 HydrophobicContact CE1-CG 4.2Å; Y398-L455 HydrophobicContact CE2-CD1 4.07Å; Y398-L455 HydrophobicContact CG-CD1 4.11Å; Y398-L455 WeakPolarHBondContact OH-CA 3.11Å; Y398-L455 PolarHBondContact OH-N 3.49Å; V451-L455 WeakPolarHBondContact O-CB 3.07Å; V451-L455 PolarHBondContact O-N 3.31Å; I452-L455 PolarHBondContact O-N 3.07Å; L455-K457 PolarHBondContact O-N 3.46Å; L455-H458 PolarHBondContact O-N 2.86Å; L455-V459 HydrophobicContact CD1-CG2 4.01Å; L455-V459 HydrophobicContact CG-CG2 4.49Å; L455-V459 WeakPolarHBondContact O-CB 3.42Å; L455-V459 WeakPolarHBondContact O-CG2 3.32Å; L455-V459 PolarHBondContact O-N 3.31Å
456	A	93.6	Very high	89.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-43.2	-179.4	0	0	0	0	0	112.3	L303 P316 L321 I452 N453 S454 L460	L303-A456 HydrophobicContact CD1-CB 4.19Å; P316-A456 HydrophobicContact CB-CB 3.66Å; P316-A456 HydrophobicContact CG-CB 3.88Å; L321-A456 HydrophobicContact CD2-CB 3.82Å; I452-A456 WeakPolarHBondContact O-CB 3.34Å; I452-A456 PolarHBondContact O-N 2.91Å; N453-A456 PolarHBondContact O-N 3.29Å; S454-A456 VanDerWaalsContact C-N 3.34Å; S454-A456 PolarHBondContact O-N 3.31Å; A456-L460 WeakPolarHBondContact O-CB 3.37Å; A456-L460 PolarHBondContact O-N 3.47Å; A456-L460 VanDerWaalsContact O-N 3.11Å
457	K	92.4	Very high	90.7	Very high	97 Å²	97	34.8 Å²	34.8	42%	0.422	16%	0.155	S	C	.	.	H	α-helix	trans	-63.3	-44.7	174.4	-72.6	177.7	178.7	-176.7	0	111.5	P316 N453 S454 L455 L460 F461 P626	P316-K457 HydrophobicContact CG-CG 3.85Å; N453-K457 WeakPolarHBondContact O-CG 3.28Å; N453-K457 PolarHBondContact O-N 3.48Å; S454-K457 PolarHBondContact O-N 3.44Å; L455-K457 PolarHBondContact O-N 3.46Å; K457-L460 PolarHBondContact O-N 3.34Å; K457-F461 VanDerWaalsContact O-CB 3.31Å; K457-F461 WeakPolarHBondContact O-CB 3.45Å; K457-F461 PolarHBondContact O-N 2.9Å; K457-P626 HydrophobicContact CB-CG 4.3Å
458	H	93.5	Very high	91.6	Very high	8 Å²	8	31.9 Å²	31.9	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-47.1	-179.9	-170.3	-69.1	0	0	0	111.7	C60 C63 S454 L455 F461 T462 P626 C627	C60-H458 VanDerWaalsContact CB-CE1 3.49Å; C60-H458 WeakPolarHBondContact CB-CE1 3.4Å; C63-H458 PolarHBondContact SG-NE2 2.99Å; S454-H458 VanDerWaalsContact O-CB 3.25Å; S454-H458 WeakPolarHBondContact O-CB 3.45Å; S454-H458 PolarHBondContact O-N 2.95Å; L455-H458 PolarHBondContact O-N 2.86Å; H458-F461 PolarHBondContact O-N 3.43Å; H458-T462 PolarHBondContact ND1-OG1 2.92Å; H458-T462 VanDerWaalsContact O-CB 3.28Å; H458-T462 WeakPolarHBondContact O-CB 3.27Å; H458-T462 PolarHBondContact O-N 2.98Å; H458-T462 PolarHBondContact O-OG1 3.46Å; H458-P626 HydrophobicContact CB-CG 3.73Å; H458-C627 VanDerWaalsContact CD2-SG 3.51Å; H458-C627 PolarHBondContact NE2-SG 2.93Å; H458-C627 VanDerWaalsContact NE2-SG 3.36Å
459	V	95	Very high	92.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.1	-46.5	178	168.1	0	0	0	0	111	L216 L303 V338 P340 F393 L455 T462 A463	L216-V459 HydrophobicContact CB-CG1 3.49Å; L216-V459 VanDerWaalsContact CB-CG1 3.49Å; L216-V459 HydrophobicContact CD1-CB 4.32Å; L216-V459 HydrophobicContact CD1-CG1 3.7Å; L216-V459 HydrophobicContact CD1-CG2 4.1Å; L216-V459 HydrophobicContact CG-CG1 4.22Å; L303-V459 HydrophobicContact CD1-CB 4.27Å; L303-V459 HydrophobicContact CD1-CG1 4.11Å; V338-V459 HydrophobicContact CG1-CG2 3.91Å; P340-V459 HydrophobicContact CB-CG1 4.03Å; P340-V459 HydrophobicContact CG-CG1 4.11Å; F393-V459 HydrophobicContact CE1-CG2 4.48Å; F393-V459 HydrophobicContact CZ-CG2 4.03Å; L455-V459 HydrophobicContact CD1-CG2 4.01Å; L455-V459 HydrophobicContact CG-CG2 4.49Å; L455-V459 WeakPolarHBondContact O-CB 3.42Å; L455-V459 WeakPolarHBondContact O-CG2 3.32Å; L455-V459 PolarHBondContact O-N 3.31Å; V459-T462 PolarHBondContact O-N 2.97Å; V459-A463 WeakPolarHBondContact O-CB 3.5Å; V459-A463 PolarHBondContact O-N 2.87Å
460	L	93.4	Very high	92.7	Very high	13 Å²	13	21.6 Å²	21.6	7%	0.068	10%	0.104	C	C	.	.	H	α-helix	trans	-66.1	-40.4	-178.3	-168.9	63.7	0	0	0	111.9	V218 E304 P313 F314 A456 K457 T462 A463 N464	V218-L460 HydrophobicContact CG1-CD1 4Å; E304-L460 HydrophobicContact CG-CD1 4.08Å; E304-L460 HydrophobicContact CG-CD2 4.24Å; P313-L460 HydrophobicContact CB-CD1 3.97Å; P313-L460 HydrophobicContact CB-CD2 3.91Å; P313-L460 HydrophobicContact CB-CG 3.86Å; F314-L460 WeakPolarHBondContact O-CD2 3.49Å; A456-L460 WeakPolarHBondContact O-CB 3.37Å; A456-L460 PolarHBondContact O-N 3.47Å; A456-L460 VanDerWaalsContact O-N 3.11Å; K457-L460 PolarHBondContact O-N 3.34Å; L460-T462 VanDerWaalsContact C-N 3.34Å; L460-A463 PolarHBondContact O-N 3.37Å; L460-N464 WeakPolarHBondContact O-CB 3.48Å; L460-N464 PolarHBondContact O-N 3.44Å
461	F	93.5	Very high	93.2	Very high	46 Å²	46	19.6 Å²	19.6	20%	0.202	10%	0.095	C	C	.	.	H	α-helix	trans	-58.9	-46.8	171.9	-177.8	-88.6	0	0	0	111.1	K457 H458 N464 K465 A622 P625	K457-F461 VanDerWaalsContact O-CB 3.31Å; K457-F461 WeakPolarHBondContact O-CB 3.45Å; K457-F461 PolarHBondContact O-N 2.9Å; H458-F461 PolarHBondContact O-N 3.43Å; F461-N464 PolarHBondContact O-N 3.32Å; F461-K465 HydrophobicContact CE1-CD 4.12Å; F461-K465 WeakPolarHBondContact O-CB 3.44Å; F461-K465 PolarHBondContact O-N 2.84Å; F461-A622 HydrophobicContact CD2-CB 4.02Å; F461-P625 HydrophobicContact CD1-CB 3.82Å; F461-P625 HydrophobicContact CD1-CG 4.32Å; F461-P625 HydrophobicContact CE1-CB 4.08Å; F461-P625 HydrophobicContact CE1-CG 4.06Å; F461-P625 HydrophobicContact CG-CB 4.26Å
462	T	94.7	Very high	93.6	Very high	21 Å²	21	19.1 Å²	19.1	13%	0.129	9%	0.093	C	C	.	.	H	α-helix	trans	-65.4	-40.7	-179.1	-59.4	0	0	0	0	112.3	P340 N390 H458 V459 L460 S466	P340-T462 HydrophobicContact CB-CG2 4.22Å; P340-T462 HydrophobicContact CG-CG2 4.11Å; N390-T462 WeakPolarHBondContact ND2-CG2 3.48Å; N390-T462 PolarHBondContact ND2-O 2.91Å; N390-T462 VanDerWaalsContact ND2-O 3.12Å; H458-T462 PolarHBondContact ND1-OG1 2.92Å; H458-T462 VanDerWaalsContact O-CB 3.28Å; H458-T462 WeakPolarHBondContact O-CB 3.27Å; H458-T462 PolarHBondContact O-N 2.98Å; H458-T462 PolarHBondContact O-OG1 3.46Å; V459-T462 PolarHBondContact O-N 2.97Å; L460-T462 VanDerWaalsContact C-N 3.34Å; T462-S466 PolarHBondContact O-N 3.13Å; T462-S466 VanDerWaalsContact O-N 3.11Å; T462-S466 PolarHBondContact O-OG 3.48Å; T462-S466 VanDerWaalsContact O-OG 3.05Å
463	A	94.9	Very high	93.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-68.9	-37.8	176.3	0	0	0	0	0	112.4	V218 P340 G342 V459 L460 S466 S467	V218-A463 HydrophobicContact CG1-CB 3.94Å; P340-A463 HydrophobicContact CB-CB 4.04Å; G342-A463 VanDerWaalsContact CA-O 3.26Å; G342-A463 WeakPolarHBondContact CA-O 3.35Å; V459-A463 WeakPolarHBondContact O-CB 3.5Å; V459-A463 PolarHBondContact O-N 2.87Å; L460-A463 PolarHBondContact O-N 3.37Å; A463-S466 PolarHBondContact O-OG 2.82Å; A463-S467 PolarHBondContact O-N 3.48Å; A463-S467 PolarHBondContact O-OG 2.89Å
464	N	93	Very high	94.2	Very high	19 Å²	19	16.5 Å²	16.5	10%	0.102	8%	0.078	C	C	.	.	H	α-helix	trans	-70.3	-44.7	175.7	-168.9	63.6	0	0	0	111.1	V218 P313 L460 F461 S466 S467 H566	V218-N464 HydrophobicContact CG1-CB 4.4Å; P313-N464 HydrophobicContact CG-CB 4.19Å; L460-N464 WeakPolarHBondContact O-CB 3.48Å; L460-N464 PolarHBondContact O-N 3.44Å; F461-N464 PolarHBondContact O-N 3.32Å; N464-S466 VanDerWaalsContact C-N 3.3Å; N464-S466 PolarHBondContact O-N 3.45Å; N464-S467 VanDerWaalsContact O-CB 3.3Å; N464-S467 WeakPolarHBondContact O-CB 3.48Å; N464-S467 PolarHBondContact O-N 3.49Å; N464-S467 VanDerWaalsContact O-N 3.1Å; N464-H566 WeakPolarHBondContact ND2-CB 3.27Å; N464-H566 VanDerWaalsContact ND2-CG 3.29Å; N464-H566 PolarHBondContact O-NE2 3.36Å
465	K	92.6	Very high	94.5	Very high	109 Å²	109	16.1 Å²	16.1	47%	0.474	8%	0.075	S	C	.	.	H	α-helix	trans	-61.3	-33.9	177.5	-176.2	174.4	-179.8	176.2	0	113.2	F461 S467 F508	F461-K465 HydrophobicContact CE1-CD 4.12Å; F461-K465 WeakPolarHBondContact O-CB 3.44Å; F461-K465 PolarHBondContact O-N 2.84Å; K465-S467 VanDerWaalsContact C-N 3.35Å; K465-F508 HydrophobicContact CG-CE1 3.99Å; K465-F508 HydrophobicContact CG-CZ 4.22Å; K465-F508 WeakPolarHBondContact O-CE1 3.16Å
466	S	93.3	Very high	94.7	Very high	4 Å²	4	16.1 Å²	16.1	3%	0.028	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.3	176.8	60.6	0	0	0	0	114.4	D388 N390 T462 A463 N464 A468	D388-S466 WeakPolarHBondContact CB-O 3.43Å; N390-S466 VanDerWaalsContact CG-OG 3.27Å; N390-S466 WeakPolarHBondContact ND2-CB 3.42Å; N390-S466 PolarHBondContact ND2-OG 2.93Å; N390-S466 VanDerWaalsContact OD1-CB 3.3Å; N390-S466 WeakPolarHBondContact OD1-CB 3.47Å; N390-S466 PolarHBondContact OD1-OG 3.36Å; T462-S466 PolarHBondContact O-N 3.13Å; T462-S466 VanDerWaalsContact O-N 3.11Å; T462-S466 PolarHBondContact O-OG 3.48Å; T462-S466 VanDerWaalsContact O-OG 3.05Å; A463-S466 PolarHBondContact O-OG 2.82Å; N464-S466 VanDerWaalsContact C-N 3.3Å; N464-S466 PolarHBondContact O-N 3.45Å; S466-A468 PolarHBondContact O-N 3.2Å
467	S	93.9	Very high	94.8	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.021	8%	0.075	C	C	.	.	S	Bend	trans	-70.3	121	179.7	-65.6	0	0	0	0	110.4	G342 I343 A463 N464 K465	G342-S467 WeakPolarHBondContact CA-OG 3.45Å; I343-S467 PolarHBondContact N-OG 2.85Å; A463-S467 PolarHBondContact O-N 3.48Å; A463-S467 PolarHBondContact O-OG 2.89Å; N464-S467 VanDerWaalsContact O-CB 3.3Å; N464-S467 WeakPolarHBondContact O-CB 3.48Å; N464-S467 PolarHBondContact O-N 3.49Å; N464-S467 VanDerWaalsContact O-N 3.1Å; K465-S467 VanDerWaalsContact C-N 3.35Å
468	A	94.4	Very high	95	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.008	6%	0.056	C	C	.	.	P	Polyproline II helix	trans	-60.4	146.8	-179.4	0	0	0	0	0	113.5	S344 R386 D388 S466 D509	S344-A468 WeakPolarHBondContact CB-O 3.29Å; S344-A468 PolarHBondContact OG-O 3.45Å; R386-A468 HydrophobicContact CB-CB 4.19Å; R386-A468 HydrophobicContact CG-CB 3.47Å; R386-A468 VanDerWaalsContact CG-CB 3.47Å; D388-A468 PolarHBondContact OD2-N 3.26Å; S466-A468 PolarHBondContact O-N 3.2Å; A468-D509 WeakPolarHBondContact CA-O 3.32Å
469	I	95.8	Very high	95.1	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-85.2	123.7	176.1	-51.3	-58.2	0	0	0	110	H473 I474 I503 F508 D509 L510 G511 G563 L564 V567	I469-H473 HydrophobicContact CG2-CB 4.06Å; I469-I474 HydrophobicContact CG2-CD1 4.45Å; I469-I474 HydrophobicContact CG2-CG1 4.01Å; I469-I503 HydrophobicContact CB-CG2 4.36Å; I469-I503 HydrophobicContact CG1-CG2 3.89Å; I469-I503 HydrophobicContact CG2-CD1 4.19Å; I469-F508 HydrophobicContact CG1-CB 4.46Å; I469-D509 PolarHBondContact N-O 3.07Å; I469-L510 HydrophobicContact CB-CD2 4.19Å; I469-L510 CarbonylContact O-C 3.27Å; I469-L510 WeakPolarHBondContact O-CA 2.86Å; I469-G511 PolarHBondContact O-N 3.36Å; I469-G563 WeakPolarHBondContact CD1-O 3.43Å; I469-L564 HydrophobicContact CG2-CD1 4.22Å; I469-L564 HydrophobicContact CG2-CD2 4.35Å; I469-L564 HydrophobicContact CG2-CG 3.99Å; I469-V567 HydrophobicContact CD1-CG2 3.87Å; I469-V567 HydrophobicContact CG1-CG2 4.24Å
470	M	95.7	Very high	95	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-86.9	160.5	179.9	-52.5	-55.1	-62	0	0	111.3	D346 C384 R386 T472 H473 I474	D346-M470 HydrophobicContact CB-CE 4.4Å; D346-M470 WeakPolarHBondContact OD1-CE 3.48Å; C384-M470 HydrophobicContact CB-CE 4.11Å; R386-M470 HydrophobicContact CB-SD 4.14Å; M470-T472 VanDerWaalsContact C-N 3.32Å; M470-T472 PolarHBondContact O-N 3.46Å; M470-H473 PolarHBondContact N-ND1 3.16Å; M470-H473 VanDerWaalsContact N-ND1 3.16Å; M470-H473 WeakPolarHBondContact O-CB 3.24Å; M470-H473 PolarHBondContact O-N 2.68Å; M470-I474 PolarHBondContact O-N 3.48Å
471	S	95.9	Very high	95	Very high	5 Å²	5	10.9 Å²	10.9	4%	0.035	5%	0.052	C	C	.	.	H	α-helix	trans	-67	-34.9	-178.5	56.2	0	0	0	0	112.2	H473 I474 V475 F512	S471-H473 VanDerWaalsContact C-N 3.27Å; S471-H473 PolarHBondContact O-N 3.42Å; S471-I474 PolarHBondContact O-N 3.46Å; S471-V475 PolarHBondContact O-N 3.27Å; S471-F512 VanDerWaalsContact N-CD1 3.27Å
472	T	95.9	Very high	94.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.6	-31.2	174.5	55.1	0	0	0	0	112.7	D346 M470 A476 A523 L526 L527	D346-T472 HydrophobicContact CB-CG2 4.32Å; D346-T472 WeakPolarHBondContact O-CB 3.31Å; D346-T472 VanDerWaalsContact O-CG2 3.3Å; D346-T472 WeakPolarHBondContact O-CG2 3.3Å; D346-T472 PolarHBondContact O-OG1 2.68Å; M470-T472 VanDerWaalsContact C-N 3.32Å; M470-T472 PolarHBondContact O-N 3.46Å; T472-A476 WeakPolarHBondContact O-CB 3.48Å; T472-A476 PolarHBondContact O-N 3.22Å; T472-A523 HydrophobicContact CG2-CB 4.15Å; T472-L526 HydrophobicContact CG2-CB 4.11Å; T472-L526 HydrophobicContact CG2-CD1 4.04Å; T472-L527 HydrophobicContact CG2-CD1 4.48Å; T472-L527 HydrophobicContact CG2-CG 4.27Å
473	H	96.7	Very high	94.8	Very high	10 Å²	10	10.7 Å²	10.7	5%	0.046	5%	0.049	C	C	.	.	H	α-helix	trans	-63	-48.6	173.8	-56.2	162.8	0	0	0	110.4	I469 M470 S471 A476 C477 Y560 L564	I469-H473 HydrophobicContact CG2-CB 4.06Å; M470-H473 PolarHBondContact N-ND1 3.16Å; M470-H473 VanDerWaalsContact N-ND1 3.16Å; M470-H473 WeakPolarHBondContact O-CB 3.24Å; M470-H473 PolarHBondContact O-N 2.68Å; S471-H473 VanDerWaalsContact C-N 3.27Å; S471-H473 PolarHBondContact O-N 3.42Å; H473-A476 PolarHBondContact O-N 3.45Å; H473-C477 VanDerWaalsContact O-CB 3.28Å; H473-C477 WeakPolarHBondContact O-CB 3.36Å; H473-C477 PolarHBondContact O-N 3.26Å; H473-Y560 WeakPolarHBondContact CA-O 3.31Å; H473-Y560 WeakPolarHBondContact CB-O 3.15Å; H473-Y560 PolarHBondContact CD2-O 3.08Å; H473-L564 HydrophobicContact CB-CD1 3.48Å; H473-L564 VanDerWaalsContact CB-CD1 3.48Å; H473-L564 HydrophobicContact CB-CG 4.47Å; H473-L564 WeakPolarHBondContact O-CD1 3.5Å
474	I	97.1	Very high	94.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-64.3	-50	-176.9	-61	176	0	0	0	110	I469 M470 S471 A476 C477 L478 F496 M499 K500 I503 F512 L564	I469-I474 HydrophobicContact CG2-CD1 4.45Å; I469-I474 HydrophobicContact CG2-CG1 4.01Å; M470-I474 PolarHBondContact O-N 3.48Å; S471-I474 PolarHBondContact O-N 3.46Å; I474-A476 PolarHBondContact O-N 3.34Å; I474-C477 PolarHBondContact O-N 2.91Å; I474-L478 HydrophobicContact CG2-CD1 3.89Å; I474-L478 HydrophobicContact CG2-CG 4.39Å; I474-L478 WeakPolarHBondContact O-CG 3.4Å; I474-L478 PolarHBondContact O-N 3.5Å; I474-F496 HydrophobicContact CB-CD2 3.85Å; I474-F496 HydrophobicContact CB-CE2 3.66Å; I474-F496 HydrophobicContact CD1-CE2 3.96Å; I474-F496 HydrophobicContact CD1-CZ 4.14Å; I474-F496 HydrophobicContact CG1-CE2 4.37Å; I474-F496 HydrophobicContact CG2-CD2 3.33Å; I474-F496 HydrophobicContact CG2-CE2 3.67Å; I474-F496 HydrophobicContact CG2-CG 4.12Å; I474-M499 HydrophobicContact CG2-CB 4.2Å; I474-M499 HydrophobicContact CG2-CG 4.13Å; I474-M499 HydrophobicContact CG2-SD 3.76Å; I474-K500 HydrophobicContact CD1-CB 4.49Å; I474-I503 HydrophobicContact CD1-CD1 3.66Å; I474-I503 HydrophobicContact CG1-CD1 3.84Å; I474-F512 HydrophobicContact CD1-CE1 3.91Å; I474-F512 HydrophobicContact CD1-CZ 3.67Å; I474-L564 HydrophobicContact CB-CD1 4.5Å; I474-L564 HydrophobicContact CG1-CD1 4.17Å; I474-L564 HydrophobicContact CG1-CD2 4.26Å
475	V	96.9	Very high	94.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-44.4	179.4	173.1	0	0	0	0	111.3	S471 C477 L478 L479 F496 V520 A523 L524 L527	S471-V475 PolarHBondContact O-N 3.27Å; V475-C477 PolarHBondContact O-N 2.9Å; V475-L478 PolarHBondContact O-N 3.31Å; V475-L479 HydrophobicContact CG1-CD1 3.84Å; V475-L479 HydrophobicContact CG1-CG 4.3Å; V475-L479 WeakPolarHBondContact O-CB 3.43Å; V475-L479 VanDerWaalsContact O-CG 3.27Å; V475-L479 WeakPolarHBondContact O-CG 3.49Å; V475-L479 PolarHBondContact O-N 3.28Å; V475-F496 HydrophobicContact CG2-CD2 3.87Å; V475-F496 HydrophobicContact CG2-CE2 4.06Å; V475-V520 HydrophobicContact CG2-CG2 4.47Å; V475-A523 HydrophobicContact CB-CB 4.28Å; V475-A523 HydrophobicContact CG2-CB 3.77Å; V475-L524 HydrophobicContact CG1-CD2 3.81Å; V475-L524 HydrophobicContact CG1-CG 4.45Å; V475-L527 HydrophobicContact CB-CD1 4.42Å; V475-L527 HydrophobicContact CG1-CD1 4.16Å
476	A	96.3	Very high	94.1	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63	-41	177.5	0	0	0	0	0	112.4	T472 H473 I474 L480 L527 L557	T472-A476 WeakPolarHBondContact O-CB 3.48Å; T472-A476 PolarHBondContact O-N 3.22Å; H473-A476 PolarHBondContact O-N 3.45Å; I474-A476 PolarHBondContact O-N 3.34Å; A476-L480 WeakPolarHBondContact O-CB 3.03Å; A476-L480 WeakPolarHBondContact O-CG 3.49Å; A476-L480 PolarHBondContact O-N 3.38Å; A476-L480 VanDerWaalsContact O-N 3.07Å; A476-L527 HydrophobicContact CB-CD1 4.37Å; A476-L557 HydrophobicContact CB-CD2 4Å
477	C	96.4	Very high	94.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.7	-46.6	176.7	-176.3	0	0	0	0	111.9	H473 I474 V475 L479 L480 Y481 L564	H473-C477 VanDerWaalsContact O-CB 3.28Å; H473-C477 WeakPolarHBondContact O-CB 3.36Å; H473-C477 PolarHBondContact O-N 3.26Å; I474-C477 PolarHBondContact O-N 2.91Å; V475-C477 PolarHBondContact O-N 2.9Å; C477-L479 PolarHBondContact O-N 2.92Å; C477-L480 PolarHBondContact O-N 3.42Å; C477-Y481 HydrophobicContact CB-CD2 4.47Å; C477-Y481 VanDerWaalsContact O-CD2 3.31Å; C477-Y481 WeakPolarHBondContact O-CD2 3.38Å; C477-Y481 PolarHBondContact O-N 3.23Å; C477-L564 HydrophobicContact CB-CD1 3.74Å
478	L	96	Very high	94.1	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.095	C	C	.	.	I	π-helix	trans	-60.8	-46.3	176.9	-73.3	172.4	0	0	0	111.6	I474 V475 L480 R482 H483 L492 D495 F496 M499	I474-L478 HydrophobicContact CG2-CD1 3.89Å; I474-L478 HydrophobicContact CG2-CG 4.39Å; I474-L478 WeakPolarHBondContact O-CG 3.4Å; I474-L478 PolarHBondContact O-N 3.5Å; V475-L478 PolarHBondContact O-N 3.31Å; L478-L480 VanDerWaalsContact C-N 3.34Å; L478-L480 PolarHBondContact O-N 3.31Å; L478-R482 HydrophobicContact CD2-CB 4.22Å; L478-R482 CarbonylContact O-C 3.55Å; L478-R482 WeakPolarHBondContact O-CA 3.3Å; L478-R482 WeakPolarHBondContact O-CB 3.41Å; L478-R482 PolarHBondContact O-N 3.27Å; L478-H483 PolarHBondContact O-N 3.25Å; L478-L492 HydrophobicContact CB-CD1 4.1Å; L478-L492 HydrophobicContact CD1-CD1 4.04Å; L478-D495 HydrophobicContact CD1-CB 4.4Å; L478-D495 HydrophobicContact CD2-CB 4.19Å; L478-F496 HydrophobicContact CD1-CB 4.1Å; L478-M499 HydrophobicContact CD2-CE 3.51Å; L478-M499 HydrophobicContact CD2-SD 4.14Å; L478-M499 HydrophobicContact CG-CE 4.09Å; L478-M499 HydrophobicContact CG-SD 4.1Å
479	L	95.3	Very high	93.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	I	π-helix	trans	-66	-33.5	-179.7	-69.6	176.3	0	0	0	113.2	V475 C477 H483 R484 V487 L524 I531 I545	V475-L479 HydrophobicContact CG1-CD1 3.84Å; V475-L479 HydrophobicContact CG1-CG 4.3Å; V475-L479 WeakPolarHBondContact O-CB 3.43Å; V475-L479 VanDerWaalsContact O-CG 3.27Å; V475-L479 WeakPolarHBondContact O-CG 3.49Å; V475-L479 PolarHBondContact O-N 3.28Å; C477-L479 PolarHBondContact O-N 2.92Å; L479-H483 CarbonylContact O-C 3.59Å; L479-R484 WeakPolarHBondContact O-CA 3.08Å; L479-R484 PolarHBondContact O-N 2.95Å; L479-V487 HydrophobicContact CD2-CG1 4.15Å; L479-L524 HydrophobicContact CD1-CD2 4.49Å; L479-I531 HydrophobicContact CD1-CG2 3.74Å; L479-I545 HydrophobicContact CD1-CG2 4.42Å; L479-I545 HydrophobicContact CD2-CG2 4.06Å
480	L	93.8	Very high	93.7	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.01	13%	0.127	C	C	.	.	I	π-helix	trans	-81.7	-44	179.5	-73.1	179	0	0	0	113.1	A476 C477 L478 L554 L557 N558	A476-L480 WeakPolarHBondContact O-CB 3.03Å; A476-L480 WeakPolarHBondContact O-CG 3.49Å; A476-L480 PolarHBondContact O-N 3.38Å; A476-L480 VanDerWaalsContact O-N 3.07Å; C477-L480 PolarHBondContact O-N 3.42Å; L478-L480 VanDerWaalsContact C-N 3.34Å; L478-L480 PolarHBondContact O-N 3.31Å; L480-L554 HydrophobicContact CD2-CD2 3.96Å; L480-L557 HydrophobicContact CD1-CB 3.77Å; L480-L557 HydrophobicContact CD2-CB 4.12Å; L480-L557 HydrophobicContact CD2-CD1 4.25Å; L480-L557 HydrophobicContact CG-CB 4.02Å; L480-N558 HydrophobicContact CD1-CB 4.3Å
481	Y	93	Very high	93.5	Very high	5 Å²	5	27.8 Å²	27.8	2%	0.02	14%	0.141	C	C	.	.	I	π-helix	trans	-108.3	-25	-165.1	-54.1	-58.5	0	0	0	114.2	C477 S561 R713 L714 P717	C477-Y481 HydrophobicContact CB-CD2 4.47Å; C477-Y481 VanDerWaalsContact O-CD2 3.31Å; C477-Y481 WeakPolarHBondContact O-CD2 3.38Å; C477-Y481 PolarHBondContact O-N 3.23Å; Y481-S561 PolarHBondContact OH-OG 3.35Å; Y481-R713 HydrophobicContact CD1-CB 4.29Å; Y481-R713 WeakPolarHBondContact CD1-O 3.49Å; Y481-R713 WeakPolarHBondContact O-CD 3Å; Y481-R713 PolarHBondContact O-NH1 3.07Å; Y481-R713 VanDerWaalsContact O-NH1 3.11Å; Y481-L714 HydrophobicContact CD2-CD2 3.46Å; Y481-L714 VanDerWaalsContact CD2-CD2 3.46Å; Y481-L714 HydrophobicContact CE2-CD2 3.79Å; Y481-L714 HydrophobicContact CG-CD2 3.96Å; Y481-P717 HydrophobicContact CE1-CG 3.91Å
482	R	91.5	Very high	93.5	Very high	37 Å²	37	27.5 Å²	27.5	14%	0.14	14%	0.139	C	C	.	.	I	π-helix	trans	-102.5	-50.2	177.4	-164.7	174.3	175.8	94	14.9	111.7	L478 D495 E706 F710	L478-R482 HydrophobicContact CD2-CB 4.22Å; L478-R482 CarbonylContact O-C 3.55Å; L478-R482 WeakPolarHBondContact O-CA 3.3Å; L478-R482 WeakPolarHBondContact O-CB 3.41Å; L478-R482 PolarHBondContact O-N 3.27Å; R482-D495 IonicContact CZ-OD2 3.51Å; R482-D495 IonicContact NE-OD1 2.83Å; R482-D495 IonicContact NE-OD2 2.88Å; R482-D495 PolarHBondContact NE-OD2 3.38Å; R482-D495 IonicContact NH2-OD2 2.87Å; R482-E706 IonicContact CZ-OE2 3.87Å; R482-E706 IonicContact NH2-OE2 3.78Å; R482-E706 PolarHBondContact NH2-OE2 3.09Å; R482-F710 HydrophobicContact CB-CD2 4.37Å
483	H	92.7	Very high	93.4	Very high	27 Å²	27	28.8 Å²	28.8	13%	0.125	15%	0.147	C	C	.	.			trans	-114.9	42.5	-166.1	-67.5	-48.1	0	0	0	114	L478 L479 Q485 G486 V487 D495	L478-H483 PolarHBondContact O-N 3.25Å; L479-H483 CarbonylContact O-C 3.59Å; H483-Q485 VanDerWaalsContact C-N 3.25Å; H483-Q485 PolarHBondContact O-N 3.32Å; H483-G486 PolarHBondContact O-N 3.28Å; H483-V487 HydrophobicContact CB-CB 3.74Å; H483-V487 HydrophobicContact CB-CG1 3.73Å; H483-V487 HydrophobicContact CB-CG2 4.5Å; H483-D495 IonicContact CD2-OD2 2.95Å; H483-D495 IonicContact CE1-OD2 3.21Å; H483-D495 PolarHBondContact CE1-OD2 3.34Å; H483-D495 IonicContact NE2-OD2 2.64Å; H483-D495 PolarHBondContact NE2-OD2 2.93Å
484	R	87.3	Confident	93.3	Very high	55 Å²	55	31.7 Å²	31.7	21%	0.208	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.6	-172.6	-168.4	170.1	178.4	-172.5	-6	114.6	L479 G486 A759 Y760	L479-R484 WeakPolarHBondContact O-CA 3.08Å; L479-R484 PolarHBondContact O-N 2.95Å; R484-G486 PolarHBondContact O-N 2.99Å; R484-A759 PolarHBondContact NH1-O 2.86Å; R484-A759 PolarHBondContact NH2-O 2.83Å; R484-Y760 VanDerWaalsContact NH1-CD1 3.27Å
485	Q	87.5	Confident	93.1	Very high	183 Å²	183	31.7 Å²	31.7	86%	0.855	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	1.2	177	-58.7	-58.1	-22.8	0	0	113.1	H483	H483-Q485 VanDerWaalsContact C-N 3.25Å; H483-Q485 PolarHBondContact O-N 3.32Å
486	G	90.6	Very high	93	Very high	20 Å²	20	31.7 Å²	31.7	21%	0.206	16%	0.161	C	C	.	.			trans	98.1	158.5	-174.4	0	0	0	0	0	112.8	H483 R484 I545	H483-G486 PolarHBondContact O-N 3.28Å; R484-G486 PolarHBondContact O-N 2.99Å; G486-I545 CarbonylContact C-O 3.5Å; G486-I545 WeakPolarHBondContact CA-O 3.33Å
487	V	93.7	Very high	92.9	Very high	11 Å²	11	36 Å²	36	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.1	-175.9	60.9	0	0	0	0	110.6	L479 H483 K491 L492 I545	L479-V487 HydrophobicContact CD2-CG1 4.15Å; H483-V487 HydrophobicContact CB-CB 3.74Å; H483-V487 HydrophobicContact CB-CG1 3.73Å; H483-V487 HydrophobicContact CB-CG2 4.5Å; V487-K491 HydrophobicContact CG2-CB 3.76Å; V487-K491 HydrophobicContact CG2-CG 3.84Å; V487-L492 HydrophobicContact CG1-CB 3.93Å; V487-L492 HydrophobicContact CG1-CD1 4.16Å; V487-L492 HydrophobicContact CG1-CD2 4.45Å; V487-L492 HydrophobicContact CG1-CG 4.4Å; V487-L492 HydrophobicContact CG2-CB 4.37Å; V487-I545 PolarHBondContact N-O 2.88Å; V487-I545 PolarHBondContact O-N 2.92Å
488	V	92.8	Very high	92.6	Very high	44 Å²	44	36.4 Å²	36.4	27%	0.267	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.7	172.3	-176.8	0	0	0	0	109.6	T490 K491 L492 E542	V488-T490 VanDerWaalsContact C-N 3.28Å; V488-T490 WeakPolarHBondContact CG1-OG1 3.24Å; V488-T490 PolarHBondContact O-N 3.25Å; V488-K491 PolarHBondContact O-N 3.13Å; V488-K491 VanDerWaalsContact O-N 3.11Å; V488-L492 PolarHBondContact O-N 3.44Å; V488-E542 HydrophobicContact CG1-CB 4.05Å; V488-E542 HydrophobicContact CG1-CG 4.32Å
489	L	91.2	Very high	92.4	Very high	27 Å²	27	36.5 Å²	36.5	14%	0.141	18%	0.182	C	C	.	.	H	α-helix	trans	-51.1	-43.8	-178.1	178.6	62.4	0	0	0	113.5	K491 L492 V493 V520 M521 L524 F543 I545	L489-K491 PolarHBondContact O-N 2.93Å; L489-L492 WeakPolarHBondContact O-CB 3.32Å; L489-L492 PolarHBondContact O-N 2.72Å; L489-L492 VanDerWaalsContact O-N 3.16Å; L489-V493 HydrophobicContact CD1-CG2 4.12Å; L489-V493 HydrophobicContact CG-CG2 4.43Å; L489-V493 WeakPolarHBondContact O-CG2 3.21Å; L489-V493 PolarHBondContact O-N 3.03Å; L489-V520 HydrophobicContact CD1-CG1 4.04Å; L489-M521 HydrophobicContact CD1-SD 3.88Å; L489-M521 HydrophobicContact CD2-SD 3.62Å; L489-M521 HydrophobicContact CG-SD 4.42Å; L489-L524 HydrophobicContact CD1-CD1 3.96Å; L489-F543 PolarHBondContact N-O 3.43Å; L489-I545 HydrophobicContact CB-CD1 4.06Å; L489-I545 HydrophobicContact CD1-CD1 3.81Å
490	T	91.6	Very high	92.2	Very high	87 Å²	87	38.2 Å²	38.2	53%	0.534	19%	0.19	S	C	.	.	H	α-helix	trans	-58.1	-46	179.4	50	0	0	0	0	112.2	V488 V493 E494	V488-T490 VanDerWaalsContact C-N 3.28Å; V488-T490 WeakPolarHBondContact CG1-OG1 3.24Å; V488-T490 PolarHBondContact O-N 3.25Å; T490-V493 PolarHBondContact O-N 3.33Å; T490-E494 PolarHBondContact O-N 3.24Å; T490-E494 VanDerWaalsContact O-N 3.08Å
491	K	92.3	Very high	92	Very high	69 Å²	69	40 Å²	40	30%	0.3	20%	0.198	S	C	.	.	H	α-helix	trans	-68.3	-35.8	176.5	-176.2	52.9	174.5	160	0	112.4	V487 V488 L489 E494 D495	V487-K491 HydrophobicContact CG2-CB 3.76Å; V487-K491 HydrophobicContact CG2-CG 3.84Å; V488-K491 PolarHBondContact O-N 3.13Å; V488-K491 VanDerWaalsContact O-N 3.11Å; L489-K491 PolarHBondContact O-N 2.93Å; K491-E494 WeakPolarHBondContact CD-OE2 3.44Å; K491-E494 IonicContact NZ-OE1 2.67Å; K491-E494 IonicContact NZ-OE2 2.7Å; K491-E494 PolarHBondContact NZ-OE2 3.5Å; K491-E494 PolarHBondContact O-N 2.67Å; K491-D495 WeakPolarHBondContact CE-OD1 2.98Å; K491-D495 IonicContact NZ-OD1 3.92Å; K491-D495 PolarHBondContact NZ-OD1 2.84Å; K491-D495 IonicContact NZ-OD2 3.97Å; K491-D495 WeakPolarHBondContact O-CB 3.38Å; K491-D495 PolarHBondContact O-N 3.09Å
492	L	94.6	Very high	91.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-41.8	174.8	-179.2	62.4	0	0	0	111.7	L478 V487 V488 L489 D495 F496 V520 L524 I545	L478-L492 HydrophobicContact CB-CD1 4.1Å; L478-L492 HydrophobicContact CD1-CD1 4.04Å; V487-L492 HydrophobicContact CG1-CB 3.93Å; V487-L492 HydrophobicContact CG1-CD1 4.16Å; V487-L492 HydrophobicContact CG1-CD2 4.45Å; V487-L492 HydrophobicContact CG1-CG 4.4Å; V487-L492 HydrophobicContact CG2-CB 4.37Å; V488-L492 PolarHBondContact O-N 3.44Å; L489-L492 WeakPolarHBondContact O-CB 3.32Å; L489-L492 PolarHBondContact O-N 2.72Å; L489-L492 VanDerWaalsContact O-N 3.16Å; L492-D495 PolarHBondContact O-N 3.09Å; L492-F496 WeakPolarHBondContact O-CB 3.04Å; L492-F496 PolarHBondContact O-N 3.39Å; L492-V520 HydrophobicContact CD2-CG1 3.93Å; L492-V520 HydrophobicContact CG-CG1 4.16Å; L492-L524 HydrophobicContact CD2-CD1 4.27Å; L492-L524 HydrophobicContact CD2-CD2 4.2Å; L492-I545 HydrophobicContact CD2-CD1 4.02Å
493	V	94.8	Very high	91.7	Very high	26 Å²	26	39 Å²	39	16%	0.158	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-41.7	177.3	173.4	0	0	0	0	111.3	L489 T490 F496 F497 E517 V520	L489-V493 HydrophobicContact CD1-CG2 4.12Å; L489-V493 HydrophobicContact CG-CG2 4.43Å; L489-V493 WeakPolarHBondContact O-CG2 3.21Å; L489-V493 PolarHBondContact O-N 3.03Å; T490-V493 PolarHBondContact O-N 3.33Å; V493-F496 PolarHBondContact O-N 2.74Å; V493-F497 PolarHBondContact O-N 3.46Å; V493-E517 HydrophobicContact CG1-CB 4.36Å; V493-E517 HydrophobicContact CG2-CG 4.47Å; V493-V520 HydrophobicContact CG2-CB 4.03Å; V493-V520 HydrophobicContact CG2-CG1 4.04Å; V493-V520 HydrophobicContact CG2-CG2 4.18Å
494	E	93.3	Very high	91.6	Very high	71 Å²	71	39.2 Å²	39.2	33%	0.332	20%	0.197	S	C	.	.	H	α-helix	trans	-60.1	-51.2	174.7	-172.1	-166.8	-175	0	0	111.3	T490 K491 F496 F497 N498	T490-E494 PolarHBondContact O-N 3.24Å; T490-E494 VanDerWaalsContact O-N 3.08Å; K491-E494 WeakPolarHBondContact CD-OE2 3.44Å; K491-E494 IonicContact NZ-OE1 2.67Å; K491-E494 IonicContact NZ-OE2 2.7Å; K491-E494 PolarHBondContact NZ-OE2 3.5Å; K491-E494 PolarHBondContact O-N 2.67Å; E494-F496 VanDerWaalsContact C-N 3.29Å; E494-F496 PolarHBondContact O-N 2.7Å; E494-F497 PolarHBondContact O-N 2.83Å; E494-N498 WeakPolarHBondContact O-CB 3.47Å; E494-N498 VanDerWaalsContact O-CG 3.24Å; E494-N498 PolarHBondContact O-N 2.85Å; E494-N498 PolarHBondContact O-ND2 3.06Å
495	D	93.7	Very high	91.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.4	-30.1	-179	-73.1	-6.2	0	0	0	112.2	L478 R482 H483 K491 L492 M499	L478-D495 HydrophobicContact CD1-CB 4.4Å; L478-D495 HydrophobicContact CD2-CB 4.19Å; R482-D495 IonicContact CZ-OD2 3.51Å; R482-D495 IonicContact NE-OD1 2.83Å; R482-D495 IonicContact NE-OD2 2.88Å; R482-D495 PolarHBondContact NE-OD2 3.38Å; R482-D495 IonicContact NH2-OD2 2.87Å; H483-D495 IonicContact CD2-OD2 2.95Å; H483-D495 IonicContact CE1-OD2 3.21Å; H483-D495 PolarHBondContact CE1-OD2 3.34Å; H483-D495 IonicContact NE2-OD2 2.64Å; H483-D495 PolarHBondContact NE2-OD2 2.93Å; K491-D495 WeakPolarHBondContact CE-OD1 2.98Å; K491-D495 IonicContact NZ-OD1 3.92Å; K491-D495 PolarHBondContact NZ-OD1 2.84Å; K491-D495 IonicContact NZ-OD2 3.97Å; K491-D495 WeakPolarHBondContact O-CB 3.38Å; K491-D495 PolarHBondContact O-N 3.09Å; L492-D495 PolarHBondContact O-N 3.09Å; D495-M499 WeakPolarHBondContact O-CB 3.02Å; D495-M499 PolarHBondContact O-N 3.33Å
496	F	95.2	Very high	91.5	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-47.5	170.5	178.4	-85	0	0	0	111.8	I474 V475 L478 L492 V493 E494 N498 M499 K500 F512 V519 V520	I474-F496 HydrophobicContact CB-CD2 3.85Å; I474-F496 HydrophobicContact CB-CE2 3.66Å; I474-F496 HydrophobicContact CD1-CE2 3.96Å; I474-F496 HydrophobicContact CD1-CZ 4.14Å; I474-F496 HydrophobicContact CG1-CE2 4.37Å; I474-F496 HydrophobicContact CG2-CD2 3.33Å; I474-F496 HydrophobicContact CG2-CE2 3.67Å; I474-F496 HydrophobicContact CG2-CG 4.12Å; V475-F496 HydrophobicContact CG2-CD2 3.87Å; V475-F496 HydrophobicContact CG2-CE2 4.06Å; L478-F496 HydrophobicContact CD1-CB 4.1Å; L492-F496 WeakPolarHBondContact O-CB 3.04Å; L492-F496 PolarHBondContact O-N 3.39Å; V493-F496 PolarHBondContact O-N 2.74Å; E494-F496 VanDerWaalsContact C-N 3.29Å; E494-F496 PolarHBondContact O-N 2.7Å; F496-N498 VanDerWaalsContact C-N 3.32Å; F496-N498 PolarHBondContact O-N 3.5Å; F496-M499 PolarHBondContact O-N 3.27Å; F496-K500 WeakPolarHBondContact O-CB 3.14Å; F496-K500 PolarHBondContact O-N 2.95Å; F496-F512 AromaticContact CE1-CE2 3.81Å; F496-F512 HydrophobicContact CE1-CE2 3.81Å; F496-F512 HydrophobicContact CE1-CZ 4.05Å; F496-F512 HydrophobicContact CE2-CZ 4.4Å; F496-F512 HydrophobicContact CZ-CD2 4.42Å; F496-F512 HydrophobicContact CZ-CE1 4.28Å; F496-F512 AromaticContact CZ-CE2 3.56Å; F496-F512 HydrophobicContact CZ-CE2 3.56Å; F496-F512 AromaticContact CZ-CZ 3.47Å; F496-F512 HydrophobicContact CZ-CZ 3.47Å; F496-F512 VanDerWaalsContact CZ-CZ 3.47Å; F496-V519 HydrophobicContact CE1-CG1 3.99Å; F496-V519 HydrophobicContact CE2-CG1 4.43Å; F496-V519 HydrophobicContact CZ-CB 4.49Å; F496-V519 HydrophobicContact CZ-CG1 3.55Å; F496-V520 HydrophobicContact CB-CG2 3.68Å; F496-V520 HydrophobicContact CD1-CG2 3.71Å; F496-V520 HydrophobicContact CD2-CG2 3.62Å; F496-V520 HydrophobicContact CE1-CG2 4.24Å; F496-V520 HydrophobicContact CE2-CG2 4.15Å; F496-V520 HydrophobicContact CG-CG2 3.38Å; F496-V520 HydrophobicContact CZ-CG2 4.44Å
497	F	93.7	Very high	91.4	Very high	89 Å²	89	34.2 Å²	34.2	39%	0.39	18%	0.176	S	C	.	.	H	α-helix	trans	-59.4	-46.8	177.3	174.9	-92.4	0	0	0	110.9	V493 E494 K500 E501	V493-F497 PolarHBondContact O-N 3.46Å; E494-F497 PolarHBondContact O-N 2.83Å; F497-K500 WeakPolarHBondContact O-CB 3.37Å; F497-K500 PolarHBondContact O-N 3.37Å; F497-E501 HydrophobicContact CD1-CG 4.39Å; F497-E501 HydrophobicContact CE1-CG 3.91Å; F497-E501 HydrophobicContact CE2-CG 4.45Å; F497-E501 HydrophobicContact CZ-CG 3.95Å; F497-E501 WeakPolarHBondContact O-CG 3.31Å; F497-E501 PolarHBondContact O-N 2.92Å
498	N	89.6	Confident	91.3	Very high	9 Å²	9	34.4 Å²	34.4	5%	0.048	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-50.1	177.5	-79.8	-13.7	0	0	0	112.5	S35 L37 E494 F496 K500 E501 E502	S35-N498 PolarHBondContact OG-ND2 3.19Å; S35-N498 VanDerWaalsContact OG-ND2 3.12Å; L37-N498 HydrophobicContact CB-CB 3.43Å; L37-N498 VanDerWaalsContact CB-CB 3.43Å; L37-N498 HydrophobicContact CD1-CB 3.54Å; L37-N498 HydrophobicContact CG-CB 4.03Å; E494-N498 WeakPolarHBondContact O-CB 3.47Å; E494-N498 VanDerWaalsContact O-CG 3.24Å; E494-N498 PolarHBondContact O-N 2.85Å; E494-N498 PolarHBondContact O-ND2 3.06Å; F496-N498 VanDerWaalsContact C-N 3.32Å; F496-N498 PolarHBondContact O-N 3.5Å; N498-K500 VanDerWaalsContact C-N 3.32Å; N498-K500 PolarHBondContact O-N 3.09Å; N498-E501 PolarHBondContact O-N 3.38Å; N498-E502 PolarHBondContact O-N 3.07Å; N498-E502 VanDerWaalsContact O-N 3.16Å
499	M	92.3	Very high	91.3	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-34.9	177.3	-174.9	171.1	-74.9	0	0	112.3	I474 L478 D495 F496 E502 I503 L564 F710	I474-M499 HydrophobicContact CG2-CB 4.2Å; I474-M499 HydrophobicContact CG2-CG 4.13Å; I474-M499 HydrophobicContact CG2-SD 3.76Å; L478-M499 HydrophobicContact CD2-CE 3.51Å; L478-M499 HydrophobicContact CD2-SD 4.14Å; L478-M499 HydrophobicContact CG-CE 4.09Å; L478-M499 HydrophobicContact CG-SD 4.1Å; D495-M499 WeakPolarHBondContact O-CB 3.02Å; D495-M499 PolarHBondContact O-N 3.33Å; F496-M499 PolarHBondContact O-N 3.27Å; M499-E502 PolarHBondContact O-N 3.29Å; M499-I503 HydrophobicContact CG-CD1 4.04Å; M499-I503 HydrophobicContact CG-CG1 4.49Å; M499-I503 VanDerWaalsContact O-CD1 3.31Å; M499-I503 WeakPolarHBondContact O-CD1 3.35Å; M499-I503 WeakPolarHBondContact O-CG1 3.5Å; M499-I503 PolarHBondContact O-N 2.67Å; M499-L564 HydrophobicContact CG-CD2 4.32Å; M499-L564 HydrophobicContact SD-CD2 3.84Å; M499-F710 HydrophobicContact CE-CE1 4.03Å; M499-F710 HydrophobicContact CE-CE2 3.77Å; M499-F710 HydrophobicContact CE-CZ 3.4Å
500	K	91.7	Very high	91.4	Very high	36 Å²	36	31.6 Å²	31.6	16%	0.157	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-45.3	175.8	179.2	-150.7	70	168.5	0	111.5	I474 F496 F497 N498 E502 I503 L504 L510 F512	I474-K500 HydrophobicContact CD1-CB 4.49Å; F496-K500 WeakPolarHBondContact O-CB 3.14Å; F496-K500 PolarHBondContact O-N 2.95Å; F497-K500 WeakPolarHBondContact O-CB 3.37Å; F497-K500 PolarHBondContact O-N 3.37Å; N498-K500 VanDerWaalsContact C-N 3.32Å; N498-K500 PolarHBondContact O-N 3.09Å; K500-E502 VanDerWaalsContact C-N 3.35Å; K500-I503 PolarHBondContact O-N 3.46Å; K500-L504 WeakPolarHBondContact O-CG 3.16Å; K500-L504 PolarHBondContact O-N 2.97Å; K500-L510 HydrophobicContact CD-CD1 4.1Å; K500-L510 HydrophobicContact CG-CD1 3.37Å; K500-F512 HydrophobicContact CD-CE2 4.24Å; K500-F512 HydrophobicContact CG-CE2 4.27Å; K500-F512 HydrophobicContact CG-CZ 4.2Å
501	E	88.3	Confident	91.4	Very high	38 Å²	38	27.5 Å²	27.5	18%	0.178	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-39.5	176.2	-65.1	-55.2	132.6	0	0	111.7	F497 N498 I503 L504 S505	F497-E501 HydrophobicContact CD1-CG 4.39Å; F497-E501 HydrophobicContact CE1-CG 3.91Å; F497-E501 HydrophobicContact CE2-CG 4.45Å; F497-E501 HydrophobicContact CZ-CG 3.95Å; F497-E501 WeakPolarHBondContact O-CG 3.31Å; F497-E501 PolarHBondContact O-N 2.92Å; N498-E501 PolarHBondContact O-N 3.38Å; E501-I503 PolarHBondContact O-N 2.93Å; E501-L504 PolarHBondContact O-N 3.15Å; E501-S505 PolarHBondContact O-N 3.38Å
502	E	86.7	Confident	91.4	Very high	21 Å²	21	25.3 Å²	25.3	10%	0.098	13%	0.125	C	C	.	.	H	α-helix	trans	-64	-42	177.1	-168.6	-179.4	176.8	0	0	112.5	L37 N498 M499 K500 L504 S505 R506 Y568 F707	L37-E502 HydrophobicContact CD2-CB 4.42Å; L37-E502 WeakPolarHBondContact CD2-OE2 3.45Å; N498-E502 PolarHBondContact O-N 3.07Å; N498-E502 VanDerWaalsContact O-N 3.16Å; M499-E502 PolarHBondContact O-N 3.29Å; K500-E502 VanDerWaalsContact C-N 3.35Å; E502-L504 VanDerWaalsContact C-N 3.3Å; E502-L504 PolarHBondContact O-N 3.41Å; E502-S505 WeakPolarHBondContact O-CB 3.31Å; E502-S505 PolarHBondContact O-N 3.5Å; E502-S505 VanDerWaalsContact O-N 3.15Å; E502-S505 PolarHBondContact O-OG 3.21Å; E502-R506 WeakPolarHBondContact O-CG 3.38Å; E502-R506 PolarHBondContact O-N 2.62Å; E502-R506 IonicContact OE1-CZ 3.08Å; E502-R506 IonicContact OE1-NE 3.69Å; E502-R506 PolarHBondContact OE1-NE 3.48Å; E502-R506 IonicContact OE1-NH2 2.8Å; E502-R506 PolarHBondContact OE1-NH2 2.86Å; E502-Y568 HydrophobicContact CG-CE1 4.33Å; E502-Y568 WeakPolarHBondContact OE1-CE1 3.42Å; E502-Y568 PolarHBondContact OE2-OH 3.19Å; E502-F707 WeakPolarHBondContact OE1-CE2 3.13Å; E502-F707 WeakPolarHBondContact OE1-CZ 3.39Å; E502-F707 WeakPolarHBondContact OE2-CE2 3.37Å
503	I	92.1	Very high	91	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-43	176.1	-67.8	159	0	0	0	111	I469 I474 M499 K500 E501 S505 R506 F508 L510 L564 V567	I469-I503 HydrophobicContact CB-CG2 4.36Å; I469-I503 HydrophobicContact CG1-CG2 3.89Å; I469-I503 HydrophobicContact CG2-CD1 4.19Å; I474-I503 HydrophobicContact CD1-CD1 3.66Å; I474-I503 HydrophobicContact CG1-CD1 3.84Å; M499-I503 HydrophobicContact CG-CD1 4.04Å; M499-I503 HydrophobicContact CG-CG1 4.49Å; M499-I503 VanDerWaalsContact O-CD1 3.31Å; M499-I503 WeakPolarHBondContact O-CD1 3.35Å; M499-I503 WeakPolarHBondContact O-CG1 3.5Å; M499-I503 PolarHBondContact O-N 2.67Å; K500-I503 PolarHBondContact O-N 3.46Å; E501-I503 PolarHBondContact O-N 2.93Å; I503-S505 VanDerWaalsContact C-N 3.33Å; I503-R506 PolarHBondContact O-N 3.02Å; I503-F508 HydrophobicContact CG2-CB 3.57Å; I503-F508 PolarHBondContact O-N 2.83Å; I503-L510 HydrophobicContact CB-CD2 4.37Å; I503-L510 HydrophobicContact CD1-CD2 4.46Å; I503-L510 HydrophobicContact CG2-CD2 3.82Å; I503-L564 HydrophobicContact CD1-CD2 3.52Å; I503-L564 HydrophobicContact CG1-CD2 4.06Å; I503-V567 HydrophobicContact CG1-CG1 4.38Å
504	L	89.9	Confident	90.6	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-66	-36.3	177	-69.2	170.2	0	0	0	111.8	P54 K500 E501 E502 R506 D507 L510	P54-L504 HydrophobicContact CG-CD2 4.43Å; K500-L504 WeakPolarHBondContact O-CG 3.16Å; K500-L504 PolarHBondContact O-N 2.97Å; E501-L504 PolarHBondContact O-N 3.15Å; E502-L504 VanDerWaalsContact C-N 3.3Å; E502-L504 PolarHBondContact O-N 3.41Å; L504-R506 PolarHBondContact O-N 2.94Å; L504-D507 PolarHBondContact O-N 2.95Å; L504-D507 VanDerWaalsContact O-N 3.17Å; L504-L510 HydrophobicContact CD1-CD1 3.87Å; L504-L510 HydrophobicContact CD2-CD1 3.85Å; L504-L510 HydrophobicContact CD2-CG 3.95Å; L504-L510 HydrophobicContact CG-CD1 3.83Å; L504-L510 HydrophobicContact CG-CG 4.28Å
505	S	85.6	Confident	90.5	Very high	34 Å²	34	32.6 Å²	32.6	24%	0.238	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-30.9	176.3	81.9	0	0	0	0	112.6	E501 E502 I503 D507	E501-S505 PolarHBondContact O-N 3.38Å; E502-S505 WeakPolarHBondContact O-CB 3.31Å; E502-S505 PolarHBondContact O-N 3.5Å; E502-S505 VanDerWaalsContact O-N 3.15Å; E502-S505 PolarHBondContact O-OG 3.21Å; I503-S505 VanDerWaalsContact C-N 3.33Å; S505-D507 VanDerWaalsContact C-N 3.29Å; S505-D507 PolarHBondContact O-N 2.8Å
506	R	87.4	Confident	90.4	Very high	31 Å²	31	33.2 Å²	33.2	12%	0.117	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	13.3	179.4	-63.9	166.3	178.2	-96.3	-8.3	113.8	E502 I503 L504 F508 V567 Y568 D571	E502-R506 WeakPolarHBondContact O-CG 3.38Å; E502-R506 PolarHBondContact O-N 2.62Å; E502-R506 IonicContact OE1-CZ 3.08Å; E502-R506 IonicContact OE1-NE 3.69Å; E502-R506 PolarHBondContact OE1-NE 3.48Å; E502-R506 IonicContact OE1-NH2 2.8Å; E502-R506 PolarHBondContact OE1-NH2 2.86Å; I503-R506 PolarHBondContact O-N 3.02Å; L504-R506 PolarHBondContact O-N 2.94Å; R506-F508 VanDerWaalsContact C-N 3.34Å; R506-F508 HydrophobicContact CB-CD2 3.86Å; R506-F508 HydrophobicContact CB-CE2 4.23Å; R506-F508 VanDerWaalsContact O-CD2 3.25Å; R506-F508 WeakPolarHBondContact O-CD2 3.35Å; R506-F508 PolarHBondContact O-N 3.25Å; R506-V567 PolarHBondContact NH1-O 3.22Å; R506-V567 VanDerWaalsContact NH1-O 3.09Å; R506-Y568 VanDerWaalsContact CZ-CD1 3.5Å; R506-D571 IonicContact CZ-OD2 3.47Å; R506-D571 IonicContact NH1-OD1 3.73Å; R506-D571 IonicContact NH1-OD2 3.58Å; R506-D571 PolarHBondContact NH1-OD2 3.1Å; R506-D571 IonicContact NH2-OD2 2.69Å; R506-D571 PolarHBondContact NH2-OD2 2.98Å
507	D	89.3	Confident	90.3	Very high	89 Å²	89	38.3 Å²	38.3	48%	0.476	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	34.5	-179.6	-62.5	-43.9	0	0	0	115.1	R51 P54 V56 L504 S505	R51-D507 IonicContact NH2-OD1 2.68Å; R51-D507 PolarHBondContact NH2-OD1 3.44Å; P54-D507 HydrophobicContact CB-CB 4.42Å; V56-D507 WeakPolarHBondContact CG1-O 3.07Å; L504-D507 PolarHBondContact O-N 2.95Å; L504-D507 VanDerWaalsContact O-N 3.17Å; S505-D507 VanDerWaalsContact C-N 3.29Å; S505-D507 PolarHBondContact O-N 2.8Å
508	F	92.3	Very high	90.3	Very high	15 Å²	15	39.7 Å²	39.7	7%	0.066	23%	0.227	C	C	.	.			trans	-100.7	140	167.9	-72	-90.3	0	0	0	111	P54 K465 I469 I503 R506 H566 V567	P54-F508 WeakPolarHBondContact CG-O 3.43Å; K465-F508 HydrophobicContact CG-CE1 3.99Å; K465-F508 HydrophobicContact CG-CZ 4.22Å; K465-F508 WeakPolarHBondContact O-CE1 3.16Å; I469-F508 HydrophobicContact CG1-CB 4.46Å; I503-F508 HydrophobicContact CG2-CB 3.57Å; I503-F508 PolarHBondContact O-N 2.83Å; R506-F508 VanDerWaalsContact C-N 3.34Å; R506-F508 HydrophobicContact CB-CD2 3.86Å; R506-F508 HydrophobicContact CB-CE2 4.23Å; R506-F508 VanDerWaalsContact O-CD2 3.25Å; R506-F508 WeakPolarHBondContact O-CD2 3.35Å; R506-F508 PolarHBondContact O-N 3.25Å; F508-H566 AromaticContact CD1-NE2 3.89Å; F508-H566 AromaticContact CE1-CD2 3.41Å; F508-H566 VanDerWaalsContact CE1-CD2 3.41Å; F508-H566 WeakPolarHBondContact CE1-CD2 3.44Å; F508-H566 AromaticContact CE1-NE2 3.34Å; F508-H566 VanDerWaalsContact CE1-NE2 3.34Å; F508-H566 WeakPolarHBondContact CE1-NE2 3.31Å; F508-H566 AromaticContact CZ-CD2 3.91Å; F508-V567 HydrophobicContact CD1-CG2 3.98Å; F508-V567 HydrophobicContact CD2-CB 4.37Å; F508-V567 HydrophobicContact CD2-CG1 3.87Å; F508-V567 HydrophobicContact CD2-CG2 4.02Å; F508-V567 HydrophobicContact CE1-CG2 4Å; F508-V567 HydrophobicContact CE2-CB 4.15Å; F508-V567 HydrophobicContact CE2-CG1 3.93Å; F508-V567 HydrophobicContact CE2-CG2 4.03Å; F508-V567 HydrophobicContact CG-CG2 3.99Å; F508-V567 HydrophobicContact CZ-CB 4.4Å; F508-V567 HydrophobicContact CZ-CG2 4.01Å
509	D	92.6	Very high	90.6	Very high	6 Å²	6	40 Å²	40	3%	0.032	23%	0.23	C	C	.	.			trans	-87.6	160.2	174.5	-169.2	23.6	0	0	0	111.5	R53 V56 R386 A468 I469	R53-D509 IonicContact CZ-OD1 3.58Å; R53-D509 IonicContact NH1-OD1 3.77Å; R53-D509 PolarHBondContact NH1-OD1 3.45Å; R53-D509 IonicContact NH1-OD2 2.81Å; V56-D509 HydrophobicContact CG1-CB 4.19Å; V56-D509 HydrophobicContact CG2-CB 4.11Å; R386-D509 IonicContact CZ-OD2 3.21Å; R386-D509 IonicContact NH1-OD2 2.74Å; R386-D509 IonicContact NH2-OD2 3.45Å; R386-D509 PolarHBondContact NH2-OD2 3.45Å; A468-D509 WeakPolarHBondContact CA-O 3.32Å; I469-D509 PolarHBondContact N-O 3.07Å
510	L	93.2	Very high	90.7	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.031	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-111.4	139.4	-178	-59	171.9	0	0	0	111.2	R53 I469 K500 I503 L504 F512	R53-L510 PolarHBondContact NH1-O 3.47Å; I469-L510 HydrophobicContact CB-CD2 4.19Å; I469-L510 CarbonylContact O-C 3.27Å; I469-L510 WeakPolarHBondContact O-CA 2.86Å; K500-L510 HydrophobicContact CD-CD1 4.1Å; K500-L510 HydrophobicContact CG-CD1 3.37Å; I503-L510 HydrophobicContact CB-CD2 4.37Å; I503-L510 HydrophobicContact CD1-CD2 4.46Å; I503-L510 HydrophobicContact CG2-CD2 3.82Å; L504-L510 HydrophobicContact CD1-CD1 3.87Å; L504-L510 HydrophobicContact CD2-CD1 3.85Å; L504-L510 HydrophobicContact CD2-CG 3.95Å; L504-L510 HydrophobicContact CG-CD1 3.83Å; L504-L510 HydrophobicContact CG-CG 4.28Å; L510-F512 HydrophobicContact CB-CD1 4.42Å; L510-F512 HydrophobicContact CB-CE1 4.17Å; L510-F512 HydrophobicContact CB-CZ 4.37Å; L510-F512 HydrophobicContact CD1-CE2 4.46Å; L510-F512 HydrophobicContact CD1-CZ 4.2Å; L510-F512 HydrophobicContact CD2-CE1 4.11Å; L510-F512 HydrophobicContact CD2-CZ 4.11Å; L510-F512 HydrophobicContact CG-CZ 4.47Å; L510-F512 PolarHBondContact O-N 2.86Å
511	G	91.3	Very high	90.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-81	4.8	178.6	0	0	0	0	0	115.2	I469	I469-G511 PolarHBondContact O-N 3.36Å
512	F	91.3	Very high	91	Very high	23 Å²	23	44.6 Å²	44.6	10%	0.101	25%	0.249	C	C	.	.			trans	-140.6	163.7	-174.6	60.6	-89.6	0	0	0	111.3	R53 S471 I474 F496 K500 L510 V519	R53-F512 PolarHBondContact NH2-O 3.4Å; S471-F512 VanDerWaalsContact N-CD1 3.27Å; I474-F512 HydrophobicContact CD1-CE1 3.91Å; I474-F512 HydrophobicContact CD1-CZ 3.67Å; F496-F512 AromaticContact CE1-CE2 3.81Å; F496-F512 HydrophobicContact CE1-CE2 3.81Å; F496-F512 HydrophobicContact CE1-CZ 4.05Å; F496-F512 HydrophobicContact CE2-CZ 4.4Å; F496-F512 HydrophobicContact CZ-CD2 4.42Å; F496-F512 HydrophobicContact CZ-CE1 4.28Å; F496-F512 AromaticContact CZ-CE2 3.56Å; F496-F512 HydrophobicContact CZ-CE2 3.56Å; F496-F512 AromaticContact CZ-CZ 3.47Å; F496-F512 HydrophobicContact CZ-CZ 3.47Å; F496-F512 VanDerWaalsContact CZ-CZ 3.47Å; K500-F512 HydrophobicContact CD-CE2 4.24Å; K500-F512 HydrophobicContact CG-CE2 4.27Å; K500-F512 HydrophobicContact CG-CZ 4.2Å; L510-F512 HydrophobicContact CB-CD1 4.42Å; L510-F512 HydrophobicContact CB-CE1 4.17Å; L510-F512 HydrophobicContact CB-CZ 4.37Å; L510-F512 HydrophobicContact CD1-CE2 4.46Å; L510-F512 HydrophobicContact CD1-CZ 4.2Å; L510-F512 HydrophobicContact CD2-CE1 4.11Å; L510-F512 HydrophobicContact CD2-CZ 4.11Å; L510-F512 HydrophobicContact CG-CZ 4.47Å; L510-F512 PolarHBondContact O-N 2.86Å; F512-V519 HydrophobicContact CB-CG1 4.48Å; F512-V519 HydrophobicContact CD2-CB 4.47Å; F512-V519 HydrophobicContact CD2-CG1 3.58Å; F512-V519 HydrophobicContact CD2-CG2 4.13Å; F512-V519 HydrophobicContact CE2-CG1 3.95Å; F512-V519 HydrophobicContact CG-CG1 4.02Å
513	S	86.8	Confident	91.4	Very high	91 Å²	91	43.6 Å²	43.6	64%	0.636	25%	0.245	S	C	*	.			trans	-151.1	160.3	176.5	57.8	0	0	0	0	109.5
514	G	87.1	Confident	91.5	Very high	67 Å²	67	44.2 Å²	44.2	69%	0.691	25%	0.248	S	C	*	.	S	Bend	trans	119.4	-168.6	179.2	0	0	0	0	0	111.1
515	D	90.5	Very high	91.7	Very high	92 Å²	92	48.5 Å²	48.5	49%	0.492	27%	0.267	S	S	.	.			trans	-69.7	143.9	177.2	-175.9	48.5	0	0	0	111.9	E517 V519	D515-E517 VanDerWaalsContact C-N 3.32Å; D515-E517 PolarHBondContact O-N 3.03Å; D515-E517 WeakPolarHBondContact OD2-CB 3.47Å; D515-E517 PolarHBondContact OD2-N 3.1Å; D515-V519 WeakPolarHBondContact O-CG2 3.37Å; D515-V519 PolarHBondContact O-N 3.07Å
516	S	92.7	Very high	91.9	Very high	12 Å²	12	47.2 Å²	47.2	8%	0.084	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-35.2	-174.4	-65.1	0	0	0	0	112.1	V519 V520	S516-V519 PolarHBondContact O-N 2.77Å; S516-V520 WeakPolarHBondContact O-CB 3.35Å; S516-V520 VanDerWaalsContact O-CG2 3.23Å; S516-V520 WeakPolarHBondContact O-CG2 3.4Å; S516-V520 PolarHBondContact O-N 2.97Å
517	E	92.8	Very high	92.2	Very high	108 Å²	108	45.9 Å²	45.9	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-51.2	-178.4	-172.1	174.2	179.4	0	0	110.9	V493 D515 V519 V520 M521	V493-E517 HydrophobicContact CG1-CB 4.36Å; V493-E517 HydrophobicContact CG2-CG 4.47Å; D515-E517 VanDerWaalsContact C-N 3.32Å; D515-E517 PolarHBondContact O-N 3.03Å; D515-E517 WeakPolarHBondContact OD2-CB 3.47Å; D515-E517 PolarHBondContact OD2-N 3.1Å; E517-V519 VanDerWaalsContact C-N 3.31Å; E517-V519 PolarHBondContact O-N 3.46Å; E517-V520 PolarHBondContact O-N 2.96Å; E517-M521 WeakPolarHBondContact O-CB 3.39Å; E517-M521 WeakPolarHBondContact O-CG 3.41Å; E517-M521 PolarHBondContact O-N 3.27Å
518	D	93.7	Very high	92.2	Very high	118 Å²	118	46.3 Å²	46.3	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-58.3	-42.6	177.2	-74.5	-33.3	0	0	0	112.3	R522	D518-R522 VanDerWaalsContact O-CB 3.3Å; D518-R522 WeakPolarHBondContact O-CB 3.35Å; D518-R522 PolarHBondContact O-N 3.33Å
519	V	94.6	Very high	91.9	Very high	15 Å²	15	51.3 Å²	51.3	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-43.2	-179.8	171.6	0	0	0	0	111.1	F496 F512 D515 S516 E517 R522 A523	F496-V519 HydrophobicContact CE1-CG1 3.99Å; F496-V519 HydrophobicContact CE2-CG1 4.43Å; F496-V519 HydrophobicContact CZ-CB 4.49Å; F496-V519 HydrophobicContact CZ-CG1 3.55Å; F512-V519 HydrophobicContact CB-CG1 4.48Å; F512-V519 HydrophobicContact CD2-CB 4.47Å; F512-V519 HydrophobicContact CD2-CG1 3.58Å; F512-V519 HydrophobicContact CD2-CG2 4.13Å; F512-V519 HydrophobicContact CE2-CG1 3.95Å; F512-V519 HydrophobicContact CG-CG1 4.02Å; D515-V519 WeakPolarHBondContact O-CG2 3.37Å; D515-V519 PolarHBondContact O-N 3.07Å; S516-V519 PolarHBondContact O-N 2.77Å; E517-V519 VanDerWaalsContact C-N 3.31Å; E517-V519 PolarHBondContact O-N 3.46Å; V519-R522 PolarHBondContact O-N 3.26Å; V519-A523 WeakPolarHBondContact O-CB 3.4Å; V519-A523 PolarHBondContact O-N 3.39Å
520	V	95.4	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-47.5	177.4	168.9	0	0	0	0	110.4	V475 L489 L492 V493 F496 S516 E517 R522 A523 L524	V475-V520 HydrophobicContact CG2-CG2 4.47Å; L489-V520 HydrophobicContact CD1-CG1 4.04Å; L492-V520 HydrophobicContact CD2-CG1 3.93Å; L492-V520 HydrophobicContact CG-CG1 4.16Å; V493-V520 HydrophobicContact CG2-CB 4.03Å; V493-V520 HydrophobicContact CG2-CG1 4.04Å; V493-V520 HydrophobicContact CG2-CG2 4.18Å; F496-V520 HydrophobicContact CB-CG2 3.68Å; F496-V520 HydrophobicContact CD1-CG2 3.71Å; F496-V520 HydrophobicContact CD2-CG2 3.62Å; F496-V520 HydrophobicContact CE1-CG2 4.24Å; F496-V520 HydrophobicContact CE2-CG2 4.15Å; F496-V520 HydrophobicContact CG-CG2 3.38Å; F496-V520 HydrophobicContact CZ-CG2 4.44Å; S516-V520 WeakPolarHBondContact O-CB 3.35Å; S516-V520 VanDerWaalsContact O-CG2 3.23Å; S516-V520 WeakPolarHBondContact O-CG2 3.4Å; S516-V520 PolarHBondContact O-N 2.97Å; E517-V520 PolarHBondContact O-N 2.96Å; V520-R522 VanDerWaalsContact C-N 3.27Å; V520-R522 PolarHBondContact O-N 3.07Å; V520-A523 PolarHBondContact O-N 2.98Å; V520-A523 VanDerWaalsContact O-N 3.1Å; V520-L524 HydrophobicContact CG1-CD1 3.89Å; V520-L524 HydrophobicContact CG1-CG 4.29Å; V520-L524 VanDerWaalsContact O-CG 3.29Å; V520-L524 WeakPolarHBondContact O-CG 3.44Å; V520-L524 PolarHBondContact O-N 3.49Å
521	M	93.4	Very high	91.8	Very high	96 Å²	96	51.5 Å²	51.5	47%	0.473	27%	0.274	S	S	.	.	H	α-helix	trans	-58.2	-41.1	177.6	-74.1	-62	-74.4	0	0	112	L489 E517 L524 H525	L489-M521 HydrophobicContact CD1-SD 3.88Å; L489-M521 HydrophobicContact CD2-SD 3.62Å; L489-M521 HydrophobicContact CG-SD 4.42Å; E517-M521 WeakPolarHBondContact O-CB 3.39Å; E517-M521 WeakPolarHBondContact O-CG 3.41Å; E517-M521 PolarHBondContact O-N 3.27Å; M521-L524 PolarHBondContact O-N 2.8Å; M521-L524 HydrophobicContact SD-CD1 4.32Å; M521-H525 PolarHBondContact O-N 3.12Å
522	R	92.9	Very high	91.8	Very high	79 Å²	79	55.4 Å²	55.4	30%	0.298	30%	0.295	S	S	.	.	H	α-helix	trans	-65.9	-42.8	174.8	-179.5	167.5	171.1	161.5	-3.1	112.6	D518 V519 V520 L524 H525 L526	D518-R522 VanDerWaalsContact O-CB 3.3Å; D518-R522 WeakPolarHBondContact O-CB 3.35Å; D518-R522 PolarHBondContact O-N 3.33Å; V519-R522 PolarHBondContact O-N 3.26Å; V520-R522 VanDerWaalsContact C-N 3.27Å; V520-R522 PolarHBondContact O-N 3.07Å; R522-L524 VanDerWaalsContact C-N 3.34Å; R522-H525 PolarHBondContact O-N 3.06Å; R522-L526 WeakPolarHBondContact O-CG 3.2Å; R522-L526 PolarHBondContact O-N 3.38Å
523	A	94.9	Very high	91.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-42	176.6	0	0	0	0	0	111.5	T472 V475 V519 V520 H525 L526 L527	T472-A523 HydrophobicContact CG2-CB 4.15Å; V475-A523 HydrophobicContact CB-CB 4.28Å; V475-A523 HydrophobicContact CG2-CB 3.77Å; V519-A523 WeakPolarHBondContact O-CB 3.4Å; V519-A523 PolarHBondContact O-N 3.39Å; V520-A523 PolarHBondContact O-N 2.98Å; V520-A523 VanDerWaalsContact O-N 3.1Å; A523-H525 VanDerWaalsContact C-N 3.34Å; A523-H525 PolarHBondContact O-N 2.82Å; A523-L526 PolarHBondContact O-N 3.41Å; A523-L527 WeakPolarHBondContact O-CB 3.45Å; A523-L527 WeakPolarHBondContact O-CG 3.18Å; A523-L527 PolarHBondContact O-N 2.89Å
524	L	94.4	Very high	91.6	Very high	13 Å²	13	57.8 Å²	57.8	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-41.4	174.5	-68.5	170.2	0	0	0	111.9	V475 L479 L489 L492 V520 M521 R522 L526 L527 E528 I531 I545	V475-L524 HydrophobicContact CG1-CD2 3.81Å; V475-L524 HydrophobicContact CG1-CG 4.45Å; L479-L524 HydrophobicContact CD1-CD2 4.49Å; L489-L524 HydrophobicContact CD1-CD1 3.96Å; L492-L524 HydrophobicContact CD2-CD1 4.27Å; L492-L524 HydrophobicContact CD2-CD2 4.2Å; V520-L524 HydrophobicContact CG1-CD1 3.89Å; V520-L524 HydrophobicContact CG1-CG 4.29Å; V520-L524 VanDerWaalsContact O-CG 3.29Å; V520-L524 WeakPolarHBondContact O-CG 3.44Å; V520-L524 PolarHBondContact O-N 3.49Å; M521-L524 PolarHBondContact O-N 2.8Å; M521-L524 HydrophobicContact SD-CD1 4.32Å; R522-L524 VanDerWaalsContact C-N 3.34Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L524-L526 PolarHBondContact O-N 2.9Å; L524-L527 CarbonylContact O-C 3.56Å; L524-L527 PolarHBondContact O-N 2.98Å; L524-E528 PolarHBondContact O-N 3.45Å; L524-I531 HydrophobicContact CB-CD1 3.92Å; L524-I531 HydrophobicContact CD2-CD1 3.74Å; L524-I531 HydrophobicContact CG-CD1 4.43Å; L524-I531 WeakPolarHBondContact O-CD1 3.49Å; L524-I545 HydrophobicContact CD1-CD1 3.51Å; L524-I545 HydrophobicContact CD1-CG1 4.48Å; L524-I545 HydrophobicContact CD2-CD1 4.37Å; L524-I545 HydrophobicContact CD2-CG2 3.8Å
525	H	92.6	Very high	90.8	Very high	123 Å²	123	57.4 Å²	57.4	57%	0.569	30%	0.303	S	S	*	.	H	α-helix	trans	-62.7	-39.5	175	-177.2	59.6	0	0	0	112.6	M521 R522 A523 L527 E528	M521-H525 PolarHBondContact O-N 3.12Å; R522-H525 PolarHBondContact O-N 3.06Å; A523-H525 VanDerWaalsContact C-N 3.34Å; A523-H525 PolarHBondContact O-N 2.82Å; H525-L527 VanDerWaalsContact C-N 3.29Å; H525-L527 PolarHBondContact O-N 3.13Å; H525-E528 IonicContact CE1-OE2 3.89Å; H525-E528 IonicContact ND1-OE2 2.73Å; H525-E528 WeakPolarHBondContact O-CB 3.23Å; H525-E528 WeakPolarHBondContact O-CG 3.46Å; H525-E528 PolarHBondContact O-N 3.28Å
526	L	91.6	Very high	89.3	Confident	7 Å²	7	55.3 Å²	55.3	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-31.2	176	-67.8	175.9	0	0	0	112.7	D346 T472 R522 A523 L524	D346-L526 HydrophobicContact CB-CD1 3.72Å; T472-L526 HydrophobicContact CG2-CB 4.11Å; T472-L526 HydrophobicContact CG2-CD1 4.04Å; R522-L526 WeakPolarHBondContact O-CG 3.2Å; R522-L526 PolarHBondContact O-N 3.38Å; A523-L526 PolarHBondContact O-N 3.41Å; L524-L526 VanDerWaalsContact C-N 3.35Å; L524-L526 PolarHBondContact O-N 2.9Å
527	L	92.3	Very high	87.4	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	12.4	179.2	-62.9	175.8	0	0	0	113.7	T472 V475 A476 A523 L524 H525 K529 C530 I531 L557 Y560	T472-L527 HydrophobicContact CG2-CD1 4.48Å; T472-L527 HydrophobicContact CG2-CG 4.27Å; V475-L527 HydrophobicContact CB-CD1 4.42Å; V475-L527 HydrophobicContact CG1-CD1 4.16Å; A476-L527 HydrophobicContact CB-CD1 4.37Å; A523-L527 WeakPolarHBondContact O-CB 3.45Å; A523-L527 WeakPolarHBondContact O-CG 3.18Å; A523-L527 PolarHBondContact O-N 2.89Å; L524-L527 CarbonylContact O-C 3.56Å; L524-L527 PolarHBondContact O-N 2.98Å; H525-L527 VanDerWaalsContact C-N 3.29Å; H525-L527 PolarHBondContact O-N 3.13Å; L527-K529 PolarHBondContact O-N 2.99Å; L527-C530 PolarHBondContact O-N 3.45Å; L527-I531 HydrophobicContact CB-CG2 4.49Å; L527-I531 PolarHBondContact O-N 2.7Å; L527-L557 HydrophobicContact CD1-CD2 4.26Å; L527-Y560 HydrophobicContact CD2-CD2 3.62Å; L527-Y560 HydrophobicContact CD2-CE2 3.83Å; L527-Y560 HydrophobicContact CD2-CG 4.32Å
528	E	89.6	Confident	85.5	Confident	98 Å²	98	60.6 Å²	60.6	46%	0.458	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-29.6	-172.4	66.5	-178.2	179.7	0	0	114.6	L524 H525 C530	L524-E528 PolarHBondContact O-N 3.45Å; H525-E528 IonicContact CE1-OE2 3.89Å; H525-E528 IonicContact ND1-OE2 2.73Å; H525-E528 WeakPolarHBondContact O-CB 3.23Å; H525-E528 WeakPolarHBondContact O-CG 3.46Å; H525-E528 PolarHBondContact O-N 3.28Å; E528-C530 VanDerWaalsContact C-N 3.3Å; E528-C530 PolarHBondContact O-N 2.72Å
529	K	87.2	Confident	83.6	Confident	121 Å²	121	67.1 Å²	67.1	53%	0.526	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.9	-178	-63.2	-170.5	172.3	-158.2	0	113.8	L527	L527-K529 PolarHBondContact O-N 2.99Å
530	C	90.1	Very high	82	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-6.1	-173.3	-54.1	0	0	0	0	112.6	L527 E528 C548 A553 E556 L557	L527-C530 PolarHBondContact O-N 3.45Å; E528-C530 VanDerWaalsContact C-N 3.3Å; E528-C530 PolarHBondContact O-N 2.72Å; C530-C548 WeakPolarHBondContact O-CB 3.22Å; C530-C548 PolarHBondContact O-N 3.39Å; C530-A553 HydrophobicContact CB-CB 4.25Å; C530-E556 WeakPolarHBondContact SG-CG 3.21Å; C530-L557 HydrophobicContact CB-CD1 3.99Å; C530-L557 HydrophobicContact CB-CD2 3.78Å; C530-L557 HydrophobicContact CB-CG 3.62Å
531	I	92.7	Very high	80.4	Confident	15 Å²	15	75.3 Å²	75.3	8%	0.077	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.3	-176.4	64.2	174.8	0	0	0	110.2	L479 L524 L527 V533 I545 A546	L479-I531 HydrophobicContact CD1-CG2 3.74Å; L524-I531 HydrophobicContact CB-CD1 3.92Å; L524-I531 HydrophobicContact CD2-CD1 3.74Å; L524-I531 HydrophobicContact CG-CD1 4.43Å; L524-I531 WeakPolarHBondContact O-CD1 3.49Å; L527-I531 HydrophobicContact CB-CG2 4.49Å; L527-I531 PolarHBondContact O-N 2.7Å; I531-V533 HydrophobicContact CD1-CG2 4.2Å; I531-V533 HydrophobicContact CG1-CG2 4.49Å; I531-I545 HydrophobicContact CB-CG2 4.48Å; I531-A546 CarbonylContact C-O 3.6Å; I531-A546 WeakPolarHBondContact CA-O 3.5Å
532	N	91.3	Very high	79.4	Confident	83 Å²	83	74.9 Å²	74.9	44%	0.444	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.5	168.2	-67.9	-15.1	0	0	0	107.4	A546	N532-A546 PolarHBondContact N-O 2.85Å; N532-A546 PolarHBondContact O-N 3.39Å
533	V	88.2	Confident	78.9	Confident	82 Å²	82	76.4 Å²	76.4	50%	0.497	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.6	173.7	-175.7	0	0	0	0	107.3	I531 F543 T544 I545	I531-V533 HydrophobicContact CD1-CG2 4.2Å; I531-V533 HydrophobicContact CG1-CG2 4.49Å; V533-F543 HydrophobicContact CG1-CB 4.05Å; V533-F543 HydrophobicContact CG1-CD1 4.12Å; V533-F543 HydrophobicContact CG1-CG 4.43Å; V533-T544 WeakPolarHBondContact CA-O 3.32Å; V533-I545 HydrophobicContact CG2-CG1 4.45Å
534	T	84.7	Confident	78.6	Confident	82 Å²	82	78.4 Å²	78.4	50%	0.503	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.4	174.4	50.7	0	0	0	0	108.8	S536 T544	T534-S536 PolarHBondContact O-N 3.49Å; T534-T544 PolarHBondContact N-O 3.36Å; T534-T544 PolarHBondContact O-N 3.02Å; T534-T544 PolarHBondContact OG1-O 3.17Å
535	G	72.2	Confident	78.6	Confident	59 Å²	59	78 Å²	78	61%	0.608	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.1	169.7	0	0	0	0	0	108.9
536	S	57.4	Low	78.5	Confident	48 Å²	48	73.3 Å²	73.3	34%	0.336	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-73.7	130.8	173.5	-171.9	0	0	0	0	109.5	T534 N538 E542	T534-S536 PolarHBondContact O-N 3.49Å; S536-N538 PolarHBondContact O-N 3.26Å; S536-N538 VanDerWaalsContact O-N 3.13Å; S536-N538 PolarHBondContact OG-N 3.22Å; S536-E542 VanDerWaalsContact CB-O 3.31Å; S536-E542 WeakPolarHBondContact CB-O 3.27Å; S536-E542 PolarHBondContact N-O 3.39Å
537	A	52.5	Low	78.6	Confident	109 Å²	109	73.1 Å²	73.1	90%	0.901	41%	0.411	S	S	*	.			trans	-71.5	6.3	172.1	0	0	0	0	0	113.1
538	N	53.6	Low	78.5	Confident	123 Å²	123	73.8 Å²	73.8	66%	0.658	42%	0.416	S	S	*	.	S	Bend	trans	-73.6	147.6	175.2	-79.9	-10.5	0	0	0	111.4	S536 N540 G541	S536-N538 PolarHBondContact O-N 3.26Å; S536-N538 VanDerWaalsContact O-N 3.13Å; S536-N538 PolarHBondContact OG-N 3.22Å; N538-N540 PolarHBondContact O-N 2.83Å; N538-G541 PolarHBondContact O-N 3.03Å
539	R	54.2	Low	78.4	Confident	254 Å²	254	74.3 Å²	74.3	96%	0.958	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-3.6	-171.5	-60.1	174	91.4	-172.7	6	115.8
540	N	59.9	Low	78.6	Confident	135 Å²	135	72.1 Å²	72.1	72%	0.722	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	-7	-176.8	-65.3	5.2	0	0	0	114.4	N538 E542	N538-N540 PolarHBondContact O-N 2.83Å; N540-E542 VanDerWaalsContact C-N 3.28Å; N540-E542 PolarHBondContact O-N 3.44Å
541	G	63.3	Low	78.5	Confident	52 Å²	52	73.1 Å²	73.1	54%	0.536	42%	0.421	S	S	.	.			trans	68	18.9	175.3	0	0	0	0	0	115.8	N538	N538-G541 PolarHBondContact O-N 3.03Å
542	E	72.2	Confident	78.4	Confident	87 Å²	87	75.1 Å²	75.1	41%	0.407	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-76.8	139.4	179.9	-71.5	-175.7	154.6	0	0	112.7	V488 S536 N540	V488-E542 HydrophobicContact CG1-CB 4.05Å; V488-E542 HydrophobicContact CG1-CG 4.32Å; S536-E542 VanDerWaalsContact CB-O 3.31Å; S536-E542 WeakPolarHBondContact CB-O 3.27Å; S536-E542 PolarHBondContact N-O 3.39Å; N540-E542 VanDerWaalsContact C-N 3.28Å; N540-E542 PolarHBondContact O-N 3.44Å
543	F	81.8	Confident	78.3	Confident	112 Å²	112	71.4 Å²	71.4	49%	0.491	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.8	178.5	-56.8	-82.3	0	0	0	110.9	L489 V533	L489-F543 PolarHBondContact N-O 3.43Å; V533-F543 HydrophobicContact CG1-CB 4.05Å; V533-F543 HydrophobicContact CG1-CD1 4.12Å; V533-F543 HydrophobicContact CG1-CG 4.43Å
544	T	89.6	Confident	78.5	Confident	42 Å²	42	67.7 Å²	67.7	26%	0.258	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.1	169.9	-55.3	0	0	0	0	109.2	V533 T534	V533-T544 WeakPolarHBondContact CA-O 3.32Å; T534-T544 PolarHBondContact N-O 3.36Å; T534-T544 PolarHBondContact O-N 3.02Å; T534-T544 PolarHBondContact OG1-O 3.17Å
545	I	93	Very high	78.8	Confident	5 Å²	5	63.8 Å²	63.8	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.3	-178.2	-60.5	152.8	0	0	0	107.9	L479 G486 V487 L489 L492 L524 I531 V533	L479-I545 HydrophobicContact CD1-CG2 4.42Å; L479-I545 HydrophobicContact CD2-CG2 4.06Å; G486-I545 CarbonylContact C-O 3.5Å; G486-I545 WeakPolarHBondContact CA-O 3.33Å; V487-I545 PolarHBondContact N-O 2.88Å; V487-I545 PolarHBondContact O-N 2.92Å; L489-I545 HydrophobicContact CB-CD1 4.06Å; L489-I545 HydrophobicContact CD1-CD1 3.81Å; L492-I545 HydrophobicContact CD2-CD1 4.02Å; L524-I545 HydrophobicContact CD1-CD1 3.51Å; L524-I545 HydrophobicContact CD1-CG1 4.48Å; L524-I545 HydrophobicContact CD2-CD1 4.37Å; L524-I545 HydrophobicContact CD2-CG2 3.8Å; I531-I545 HydrophobicContact CB-CG2 4.48Å; V533-I545 HydrophobicContact CG2-CG1 4.45Å
546	A	92.3	Very high	79.7	Confident	24 Å²	24	61.9 Å²	61.9	20%	0.198	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152.6	176.5	0	0	0	0	0	111.4	I531 N532	I531-A546 CarbonylContact C-O 3.6Å; I531-A546 WeakPolarHBondContact CA-O 3.5Å; N532-A546 PolarHBondContact N-O 2.85Å; N532-A546 PolarHBondContact O-N 3.39Å
547	A	92.2	Very high	81.4	Confident	3 Å²	3	59.6 Å²	59.6	3%	0.025	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.4	170.5	0	0	0	0	0	110.5	Q549 L557	A547-Q549 PolarHBondContact O-N 3.46Å; A547-Q549 PolarHBondContact O-NE2 3.09Å; A547-L557 HydrophobicContact CB-CD1 3.7Å
548	C	90.6	Very high	83.3	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.108	29%	0.288	C	S	.	.			trans	-68.9	127.6	172.8	-180	0	0	0	0	109.6	C530 T550 A553 L554	C530-C548 WeakPolarHBondContact O-CB 3.22Å; C530-C548 PolarHBondContact O-N 3.39Å; C548-T550 PolarHBondContact O-N 2.79Å; C548-T550 PolarHBondContact SG-OG1 3.34Å; C548-T550 VanDerWaalsContact SG-OG1 3.35Å; C548-A553 HydrophobicContact CB-CB 3.74Å; C548-L554 WeakPolarHBondContact O-CD2 3.35Å
549	Q	88.3	Confident	85.2	Confident	108 Å²	108	49.4 Å²	49.4	51%	0.505	26%	0.259	S	S	.	.			trans	-79.7	5	-174.8	-58.7	-58.4	-47	0	0	113.9	A547	A547-Q549 PolarHBondContact O-N 3.46Å; A547-Q549 PolarHBondContact O-NE2 3.09Å
550	T	89.9	Confident	87	Confident	76 Å²	76	37.3 Å²	37.3	47%	0.466	21%	0.213	S	C	.	.	S	Bend	trans	-72.7	139.5	175.5	64.6	0	0	0	0	110.3	C548 P552 A553 L554	C548-T550 PolarHBondContact O-N 2.79Å; C548-T550 PolarHBondContact SG-OG1 3.34Å; C548-T550 VanDerWaalsContact SG-OG1 3.35Å; T550-P552 VanDerWaalsContact C-CD 3.48Å; T550-P552 VanDerWaalsContact C-N 3.35Å; T550-A553 WeakPolarHBondContact O-CB 3.44Å; T550-A553 PolarHBondContact O-N 3.06Å; T550-A553 VanDerWaalsContact OG1-CB 3.27Å; T550-A553 WeakPolarHBondContact OG1-CB 3.46Å; T550-L554 PolarHBondContact O-N 3.16Å
551	V	89.5	Confident	88.7	Confident	20 Å²	20	31 Å²	31	12%	0.121	18%	0.18	C	C	.	.	H	α-helix	trans	-50.6	-47.1	-179.4	177.8	0	0	0	0	112.8	L358 A553 L554 F555 L750 T753 E754	L358-V551 HydrophobicContact CD2-CG1 4.08Å; V551-A553 VanDerWaalsContact C-N 3.32Å; V551-A553 PolarHBondContact O-N 2.66Å; V551-L554 PolarHBondContact O-N 3.36Å; V551-F555 HydrophobicContact CG1-CD1 4.01Å; V551-F555 HydrophobicContact CG1-CD2 4.16Å; V551-F555 HydrophobicContact CG1-CE1 3.62Å; V551-F555 HydrophobicContact CG1-CE2 3.79Å; V551-F555 HydrophobicContact CG1-CG 4.27Å; V551-F555 HydrophobicContact CG1-CZ 3.49Å; V551-F555 VanDerWaalsContact CG1-CZ 3.49Å; V551-F555 WeakPolarHBondContact O-CB 3.46Å; V551-F555 WeakPolarHBondContact O-CD1 3.43Å; V551-F555 VanDerWaalsContact O-CG 3.3Å; V551-F555 WeakPolarHBondContact O-CG 3.43Å; V551-F555 PolarHBondContact O-N 3.35Å; V551-L750 HydrophobicContact CG1-CD1 3.87Å; V551-L750 HydrophobicContact CG2-CD1 4.29Å; V551-T753 HydrophobicContact CG2-CG2 3.91Å; V551-E754 HydrophobicContact CG2-CG 4.44Å
552	P	89.2	Confident	90.1	Very high	57 Å²	57	29 Å²	29	37%	0.37	16%	0.157	S	C	.	.	H	α-helix	trans	-64.7	-33.4	179.7	-21.4	35	0	0	0	113.8	N354 T550 E556	N354-P552 PolarHBondContact ND2-O 2.8Å; N354-P552 VanDerWaalsContact ND2-O 3.17Å; T550-P552 VanDerWaalsContact C-CD 3.48Å; T550-P552 VanDerWaalsContact C-N 3.35Å; P552-E556 WeakPolarHBondContact O-CB 3.32Å; P552-E556 PolarHBondContact O-N 2.86Å; P552-E556 VanDerWaalsContact O-N 3.13Å
553	A	90.3	Very high	91	Very high	5 Å²	5	25.2 Å²	25.2	4%	0.041	14%	0.141	C	C	.	.	H	α-helix	trans	-70.8	-44.5	177.7	0	0	0	0	0	111.5	C530 C548 T550 V551 F555 E556 L557	C530-A553 HydrophobicContact CB-CB 4.25Å; C548-A553 HydrophobicContact CB-CB 3.74Å; T550-A553 WeakPolarHBondContact O-CB 3.44Å; T550-A553 PolarHBondContact O-N 3.06Å; T550-A553 VanDerWaalsContact OG1-CB 3.27Å; T550-A553 WeakPolarHBondContact OG1-CB 3.46Å; V551-A553 VanDerWaalsContact C-N 3.32Å; V551-A553 PolarHBondContact O-N 2.66Å; A553-F555 VanDerWaalsContact C-N 3.31Å; A553-F555 PolarHBondContact O-N 3.07Å; A553-E556 PolarHBondContact O-N 3.08Å; A553-L557 WeakPolarHBondContact O-CG 3.36Å; A553-L557 PolarHBondContact O-N 2.89Å
554	L	91.6	Very high	91.5	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-62.3	-39.6	176.2	-66.5	177.2	0	0	0	111.6	L480 C548 T550 V551 L557 N558	L480-L554 HydrophobicContact CD2-CD2 3.96Å; C548-L554 WeakPolarHBondContact O-CD2 3.35Å; T550-L554 PolarHBondContact O-N 3.16Å; V551-L554 PolarHBondContact O-N 3.36Å; L554-L557 PolarHBondContact O-N 3.03Å; L554-N558 VanDerWaalsContact O-CB 3.23Å; L554-N558 WeakPolarHBondContact O-CB 3.39Å; L554-N558 PolarHBondContact O-N 3.11Å
555	F	91.8	Very high	91.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-41.5	176.3	-83.1	21.4	0	0	0	112.3	Q357 L358 V551 A553 F559 A764 T765	Q357-F555 HydrophobicContact CB-CD2 3.76Å; Q357-F555 HydrophobicContact CB-CE2 4.11Å; L358-F555 HydrophobicContact CD2-CD2 4.49Å; L358-F555 HydrophobicContact CD2-CE2 3.96Å; L358-F555 HydrophobicContact CG-CE2 4.37Å; V551-F555 HydrophobicContact CG1-CD1 4.01Å; V551-F555 HydrophobicContact CG1-CD2 4.16Å; V551-F555 HydrophobicContact CG1-CE1 3.62Å; V551-F555 HydrophobicContact CG1-CE2 3.79Å; V551-F555 HydrophobicContact CG1-CG 4.27Å; V551-F555 HydrophobicContact CG1-CZ 3.49Å; V551-F555 VanDerWaalsContact CG1-CZ 3.49Å; V551-F555 WeakPolarHBondContact O-CB 3.46Å; V551-F555 WeakPolarHBondContact O-CD1 3.43Å; V551-F555 VanDerWaalsContact O-CG 3.3Å; V551-F555 WeakPolarHBondContact O-CG 3.43Å; V551-F555 PolarHBondContact O-N 3.35Å; A553-F555 VanDerWaalsContact C-N 3.31Å; A553-F555 PolarHBondContact O-N 3.07Å; F555-F559 PolarHBondContact O-N 3.49Å; F555-A764 HydrophobicContact CZ-CB 4.46Å; F555-T765 HydrophobicContact CD1-CG2 3.76Å; F555-T765 HydrophobicContact CD2-CG2 4.28Å; F555-T765 HydrophobicContact CE1-CG2 3.69Å; F555-T765 HydrophobicContact CE2-CG2 4.22Å; F555-T765 HydrophobicContact CG-CG2 4.07Å; F555-T765 HydrophobicContact CZ-CG2 3.93Å
556	E	90.9	Very high	91.3	Very high	19 Å²	19	19.7 Å²	19.7	9%	0.089	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-42.7	174.6	178.6	163.9	-180	0	0	112.5	Y353 N354 C530 P552 A553 F559 Y560	Y353-E556 HydrophobicContact CE2-CB 4.08Å; Y353-E556 HydrophobicContact CE2-CG 4.24Å; Y353-E556 WeakPolarHBondContact OH-CG 3.2Å; Y353-E556 PolarHBondContact OH-OE1 3.13Å; Y353-E556 PolarHBondContact OH-OE2 3.16Å; N354-E556 PolarHBondContact ND2-OE2 3.31Å; C530-E556 WeakPolarHBondContact SG-CG 3.21Å; P552-E556 WeakPolarHBondContact O-CB 3.32Å; P552-E556 PolarHBondContact O-N 2.86Å; P552-E556 VanDerWaalsContact O-N 3.13Å; A553-E556 PolarHBondContact O-N 3.08Å; E556-F559 WeakPolarHBondContact O-CB 3.47Å; E556-F559 PolarHBondContact O-N 2.9Å; E556-Y560 HydrophobicContact CG-CD2 4.24Å; E556-Y560 HydrophobicContact CG-CE2 3.77Å; E556-Y560 WeakPolarHBondContact O-CD2 3.32Å; E556-Y560 PolarHBondContact O-N 3.33Å
557	L	92.7	Very high	91.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-43.4	173.7	-72.5	170.3	0	0	0	111.5	A476 L480 L527 C530 A547 A553 L554 F559 Y560 S561	A476-L557 HydrophobicContact CB-CD2 4Å; L480-L557 HydrophobicContact CD1-CB 3.77Å; L480-L557 HydrophobicContact CD2-CB 4.12Å; L480-L557 HydrophobicContact CD2-CD1 4.25Å; L480-L557 HydrophobicContact CG-CB 4.02Å; L527-L557 HydrophobicContact CD1-CD2 4.26Å; C530-L557 HydrophobicContact CB-CD1 3.99Å; C530-L557 HydrophobicContact CB-CD2 3.78Å; C530-L557 HydrophobicContact CB-CG 3.62Å; A547-L557 HydrophobicContact CB-CD1 3.7Å; A553-L557 WeakPolarHBondContact O-CG 3.36Å; A553-L557 PolarHBondContact O-N 2.89Å; L554-L557 PolarHBondContact O-N 3.03Å; L557-F559 VanDerWaalsContact C-N 3.27Å; L557-F559 PolarHBondContact O-N 2.97Å; L557-Y560 PolarHBondContact O-N 2.92Å; L557-Y560 VanDerWaalsContact O-N 3.16Å; L557-S561 WeakPolarHBondContact O-CB 3.38Å; L557-S561 PolarHBondContact O-N 3.28Å
558	N	93.3	Very high	91.3	Very high	9 Å²	9	18.7 Å²	18.7	5%	0.048	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-43.1	178.4	-178	21.1	0	0	0	110.2	L480 L554 Y560 S561 N562 E762	L480-N558 HydrophobicContact CD1-CB 4.3Å; L554-N558 VanDerWaalsContact O-CB 3.23Å; L554-N558 WeakPolarHBondContact O-CB 3.39Å; L554-N558 PolarHBondContact O-N 3.11Å; N558-Y560 VanDerWaalsContact C-N 3.34Å; N558-Y560 PolarHBondContact O-N 3.35Å; N558-S561 WeakPolarHBondContact CA-OG 3.33Å; N558-S561 PolarHBondContact O-N 2.94Å; N558-S561 PolarHBondContact O-OG 3.36Å; N558-N562 VanDerWaalsContact O-CG 3.26Å; N558-N562 PolarHBondContact O-N 3.12Å; N558-N562 PolarHBondContact O-ND2 3.34Å; N558-N562 VanDerWaalsContact O-ND2 3.07Å; N558-N562 PolarHBondContact OD1-ND2 3.28Å; N558-N562 VanDerWaalsContact OD1-ND2 3.1Å; N558-E762 HydrophobicContact CB-CB 3.8Å; N558-E762 HydrophobicContact CB-CG 4.3Å
559	F	92.4	Very high	91.4	Very high	9 Å²	9	18.1 Å²	18.1	4%	0.039	10%	0.1	C	C	.	.	H	α-helix	trans	-52.3	-48.9	175.2	-178.7	-81.7	0	0	0	112.7	R309 S310 I348 F555 E556 L557	R309-F559 WeakPolarHBondContact O-CD2 3.28Å; S310-F559 VanDerWaalsContact C-CD2 3.49Å; I348-F559 HydrophobicContact CD1-CD1 4.46Å; I348-F559 HydrophobicContact CD1-CE1 3.22Å; I348-F559 HydrophobicContact CD1-CE2 4.35Å; I348-F559 HydrophobicContact CD1-CZ 3.17Å; I348-F559 HydrophobicContact CG1-CE1 3.91Å; I348-F559 HydrophobicContact CG1-CZ 4.3Å; F555-F559 PolarHBondContact O-N 3.49Å; E556-F559 WeakPolarHBondContact O-CB 3.47Å; E556-F559 PolarHBondContact O-N 2.9Å; L557-F559 VanDerWaalsContact C-N 3.27Å; L557-F559 PolarHBondContact O-N 2.97Å
560	Y	93.4	Very high	91.7	Very high	1 Å²	1	13.6 Å²	13.6	0%	0.004	8%	0.08	C	C	.	.	H	α-helix	trans	-73.3	-38.5	179	-68	-67.8	0	0	0	112.5	D346 R347 I348 H473 L527 E556 L557 N558 N562 G563	D346-Y560 WeakPolarHBondContact O-CE1 3.39Å; R347-Y560 WeakPolarHBondContact CA-OH 3.16Å; R347-Y560 WeakPolarHBondContact CG-OH 3.49Å; I348-Y560 PolarHBondContact N-OH 2.92Å; I348-Y560 VanDerWaalsContact N-OH 3.08Å; H473-Y560 WeakPolarHBondContact CA-O 3.31Å; H473-Y560 WeakPolarHBondContact CB-O 3.15Å; H473-Y560 PolarHBondContact CD2-O 3.08Å; L527-Y560 HydrophobicContact CD2-CD2 3.62Å; L527-Y560 HydrophobicContact CD2-CE2 3.83Å; L527-Y560 HydrophobicContact CD2-CG 4.32Å; E556-Y560 HydrophobicContact CG-CD2 4.24Å; E556-Y560 HydrophobicContact CG-CE2 3.77Å; E556-Y560 WeakPolarHBondContact O-CD2 3.32Å; E556-Y560 PolarHBondContact O-N 3.33Å; L557-Y560 PolarHBondContact O-N 2.92Å; L557-Y560 VanDerWaalsContact O-N 3.16Å; N558-Y560 VanDerWaalsContact C-N 3.34Å; N558-Y560 PolarHBondContact O-N 3.35Å; Y560-N562 PolarHBondContact O-N 3.06Å; Y560-G563 PolarHBondContact O-N 3.42Å
561	S	94.3	Very high	91.9	Very high	3 Å²	3	10 Å²	10	2%	0.021	6%	0.058	C	C	.	.	H	α-helix	trans	-62.3	-31	178.8	78.9	0	0	0	0	112.6	Y481 L557 N558 G563 L564	Y481-S561 PolarHBondContact OH-OG 3.35Å; L557-S561 WeakPolarHBondContact O-CB 3.38Å; L557-S561 PolarHBondContact O-N 3.28Å; N558-S561 WeakPolarHBondContact CA-OG 3.33Å; N558-S561 PolarHBondContact O-N 2.94Å; N558-S561 PolarHBondContact O-OG 3.36Å; S561-G563 PolarHBondContact O-N 3.2Å; S561-L564 PolarHBondContact O-N 2.74Å
562	N	92.3	Very high	92.2	Very high	10 Å²	10	9.1 Å²	9.1	5%	0.053	5%	0.053	C	C	.	.	H	α-helix	trans	-62.6	-15.3	176.6	-77.2	-38.5	0	0	0	113.3	S310 K312 N558 Y560 L564 F565	S310-N562 WeakPolarHBondContact O-CB 3.44Å; S310-N562 PolarHBondContact O-ND2 3.27Å; K312-N562 WeakPolarHBondContact CE-OD1 3.45Å; K312-N562 HydrophobicContact CG-CB 3.87Å; N558-N562 VanDerWaalsContact O-CG 3.26Å; N558-N562 PolarHBondContact O-N 3.12Å; N558-N562 PolarHBondContact O-ND2 3.34Å; N558-N562 VanDerWaalsContact O-ND2 3.07Å; N558-N562 PolarHBondContact OD1-ND2 3.28Å; N558-N562 VanDerWaalsContact OD1-ND2 3.1Å; Y560-N562 PolarHBondContact O-N 3.06Å; N562-L564 PolarHBondContact O-N 3.3Å; N562-F565 WeakPolarHBondContact O-CB 3.45Å; N562-F565 PolarHBondContact O-N 2.95Å
563	G	90.9	Very high	92.5	Very high	7 Å²	7	6.4 Å²	6.4	7%	0.072	4%	0.035	C	C	.	.	H	α-helix	trans	-57.5	-32.2	167	0	0	0	0	0	113.4	I469 Y560 S561 H566	I469-G563 WeakPolarHBondContact CD1-O 3.43Å; Y560-G563 PolarHBondContact O-N 3.42Å; S561-G563 PolarHBondContact O-N 3.2Å; G563-H566 PolarHBondContact O-CE1 3.13Å; G563-H566 PolarHBondContact O-ND1 3.2Å
564	L	92.6	Very high	92.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-91.8	-10.4	175.8	-75.9	110	0	0	0	114.4	I469 H473 I474 C477 M499 I503 S561 N562 H566 V567 Y568	I469-L564 HydrophobicContact CG2-CD1 4.22Å; I469-L564 HydrophobicContact CG2-CD2 4.35Å; I469-L564 HydrophobicContact CG2-CG 3.99Å; H473-L564 HydrophobicContact CB-CD1 3.48Å; H473-L564 VanDerWaalsContact CB-CD1 3.48Å; H473-L564 HydrophobicContact CB-CG 4.47Å; H473-L564 WeakPolarHBondContact O-CD1 3.5Å; I474-L564 HydrophobicContact CB-CD1 4.5Å; I474-L564 HydrophobicContact CG1-CD1 4.17Å; I474-L564 HydrophobicContact CG1-CD2 4.26Å; C477-L564 HydrophobicContact CB-CD1 3.74Å; M499-L564 HydrophobicContact CG-CD2 4.32Å; M499-L564 HydrophobicContact SD-CD2 3.84Å; I503-L564 HydrophobicContact CD1-CD2 3.52Å; I503-L564 HydrophobicContact CG1-CD2 4.06Å; S561-L564 PolarHBondContact O-N 2.74Å; N562-L564 PolarHBondContact O-N 3.3Å; L564-H566 PolarHBondContact O-N 3.23Å; L564-H566 VanDerWaalsContact O-N 3.15Å; L564-V567 WeakPolarHBondContact O-CB 3.44Å; L564-V567 PolarHBondContact O-N 2.95Å; L564-Y568 HydrophobicContact CB-CD2 4.38Å; L564-Y568 HydrophobicContact CB-CE2 4.46Å; L564-Y568 HydrophobicContact CD2-CD2 4.46Å; L564-Y568 HydrophobicContact CD2-CE2 3.74Å
565	F	89.3	Confident	92.9	Very high	9 Å²	9	6 Å²	6	4%	0.039	3%	0.032	C	C	.	.	H	α-helix	trans	-55.1	-41.3	-172.6	-166.8	-104	0	0	0	112.1	K312 N562 V567 Y568 I569 V621 L715	K312-F565 HydrophobicContact CD-CD1 4.08Å; K312-F565 HydrophobicContact CD-CE1 4.41Å; K312-F565 VanDerWaalsContact NZ-CZ 3.27Å; N562-F565 WeakPolarHBondContact O-CB 3.45Å; N562-F565 PolarHBondContact O-N 2.95Å; F565-V567 VanDerWaalsContact C-N 3.3Å; F565-V567 PolarHBondContact O-N 3.29Å; F565-Y568 PolarHBondContact O-N 3.48Å; F565-I569 HydrophobicContact CD1-CD1 4.19Å; F565-I569 HydrophobicContact CE1-CD1 3.48Å; F565-I569 VanDerWaalsContact CE1-CD1 3.48Å; F565-I569 HydrophobicContact CE1-CG1 4.26Å; F565-I569 HydrophobicContact CE2-CD1 4.22Å; F565-I569 HydrophobicContact CZ-CD1 3.5Å; F565-I569 WeakPolarHBondContact O-CB 3.47Å; F565-I569 PolarHBondContact O-N 2.91Å; F565-I569 VanDerWaalsContact O-N 3.09Å; F565-V621 HydrophobicContact CD1-CB 4.33Å; F565-V621 HydrophobicContact CD1-CG2 4Å; F565-V621 HydrophobicContact CE1-CB 3.77Å; F565-V621 HydrophobicContact CE1-CG1 4.04Å; F565-V621 HydrophobicContact CE1-CG2 3.89Å; F565-L715 HydrophobicContact CE2-CD2 3.99Å; F565-L715 HydrophobicContact CZ-CD2 3.64Å
566	H	89	Confident	93.1	Very high	33 Å²	33	6 Å²	6	15%	0.153	3%	0.032	C	C	.	.	H	α-helix	trans	-75.2	-12	-179.8	71	-77.5	0	0	0	115	N464 F508 G563 L564	N464-H566 WeakPolarHBondContact ND2-CB 3.27Å; N464-H566 VanDerWaalsContact ND2-CG 3.29Å; N464-H566 PolarHBondContact O-NE2 3.36Å; F508-H566 AromaticContact CD1-NE2 3.89Å; F508-H566 AromaticContact CE1-CD2 3.41Å; F508-H566 VanDerWaalsContact CE1-CD2 3.41Å; F508-H566 WeakPolarHBondContact CE1-CD2 3.44Å; F508-H566 AromaticContact CE1-NE2 3.34Å; F508-H566 VanDerWaalsContact CE1-NE2 3.34Å; F508-H566 WeakPolarHBondContact CE1-NE2 3.31Å; F508-H566 AromaticContact CZ-CD2 3.91Å; G563-H566 PolarHBondContact O-CE1 3.13Å; G563-H566 PolarHBondContact O-ND1 3.2Å; L564-H566 PolarHBondContact O-N 3.23Å; L564-H566 VanDerWaalsContact O-N 3.15Å
567	V	92.6	Very high	93.3	Very high	6 Å²	6	5 Å²	5	4%	0.036	3%	0.028	C	C	.	.	H	α-helix	trans	-79.2	-37.2	176.1	179.4	0	0	0	0	110.9	I469 I503 R506 F508 L564 F565	I469-V567 HydrophobicContact CD1-CG2 3.87Å; I469-V567 HydrophobicContact CG1-CG2 4.24Å; I503-V567 HydrophobicContact CG1-CG1 4.38Å; R506-V567 PolarHBondContact NH1-O 3.22Å; R506-V567 VanDerWaalsContact NH1-O 3.09Å; F508-V567 HydrophobicContact CD1-CG2 3.98Å; F508-V567 HydrophobicContact CD2-CB 4.37Å; F508-V567 HydrophobicContact CD2-CG1 3.87Å; F508-V567 HydrophobicContact CD2-CG2 4.02Å; F508-V567 HydrophobicContact CE1-CG2 4Å; F508-V567 HydrophobicContact CE2-CB 4.15Å; F508-V567 HydrophobicContact CE2-CG1 3.93Å; F508-V567 HydrophobicContact CE2-CG2 4.03Å; F508-V567 HydrophobicContact CG-CG2 3.99Å; F508-V567 HydrophobicContact CZ-CB 4.4Å; F508-V567 HydrophobicContact CZ-CG2 4.01Å; L564-V567 WeakPolarHBondContact O-CB 3.44Å; L564-V567 PolarHBondContact O-N 2.95Å; F565-V567 VanDerWaalsContact C-N 3.3Å; F565-V567 PolarHBondContact O-N 3.29Å
568	Y	93.2	Very high	93.2	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-108.6	-1.6	-173	-65.7	-75.4	0	0	0	113.9	E502 R506 L564 F565 D571 A572 F707 L711 L714	E502-Y568 HydrophobicContact CG-CE1 4.33Å; E502-Y568 WeakPolarHBondContact OE1-CE1 3.42Å; E502-Y568 PolarHBondContact OE2-OH 3.19Å; R506-Y568 VanDerWaalsContact CZ-CD1 3.5Å; L564-Y568 HydrophobicContact CB-CD2 4.38Å; L564-Y568 HydrophobicContact CB-CE2 4.46Å; L564-Y568 HydrophobicContact CD2-CD2 4.46Å; L564-Y568 HydrophobicContact CD2-CE2 3.74Å; F565-Y568 PolarHBondContact O-N 3.48Å; Y568-D571 PolarHBondContact O-N 2.95Å; Y568-A572 WeakPolarHBondContact O-CB 3.32Å; Y568-A572 PolarHBondContact O-N 3.41Å; Y568-F707 HydrophobicContact CE1-CE2 4.48Å; Y568-L711 HydrophobicContact CD1-CD2 3.9Å; Y568-L711 HydrophobicContact CG-CD2 4.33Å; Y568-L714 HydrophobicContact CD2-CD1 4.37Å; Y568-L714 HydrophobicContact CG-CD1 4.08Å
569	I	92.9	Very high	93.1	Very high	5 Å²	5	5.7 Å²	5.7	3%	0.026	3%	0.031	C	C	.	.	H	α-helix	trans	-58	-45.4	-169.7	-166.7	61.4	0	0	0	114.7	F565 D571 A572 I573 V621 L715	F565-I569 HydrophobicContact CD1-CD1 4.19Å; F565-I569 HydrophobicContact CE1-CD1 3.48Å; F565-I569 VanDerWaalsContact CE1-CD1 3.48Å; F565-I569 HydrophobicContact CE1-CG1 4.26Å; F565-I569 HydrophobicContact CE2-CD1 4.22Å; F565-I569 HydrophobicContact CZ-CD1 3.5Å; F565-I569 WeakPolarHBondContact O-CB 3.47Å; F565-I569 PolarHBondContact O-N 2.91Å; F565-I569 VanDerWaalsContact O-N 3.09Å; I569-D571 VanDerWaalsContact C-N 3.3Å; I569-D571 PolarHBondContact O-N 2.99Å; I569-A572 PolarHBondContact O-N 3.32Å; I569-I573 HydrophobicContact CD1-CD1 4.4Å; I569-I573 HydrophobicContact CD1-CG1 4.4Å; I569-I573 HydrophobicContact CG1-CD1 4.04Å; I569-I573 HydrophobicContact CG1-CG1 4.47Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.38Å; I569-I573 PolarHBondContact O-N 3.28Å; I569-V621 HydrophobicContact CB-CG2 4.36Å; I569-V621 HydrophobicContact CD1-CG1 3.93Å; I569-V621 HydrophobicContact CG1-CB 4.39Å; I569-V621 HydrophobicContact CG1-CG1 3.7Å; I569-V621 HydrophobicContact CG1-CG2 3.91Å; I569-V621 HydrophobicContact CG2-CG2 4.21Å; I569-L715 HydrophobicContact CD1-CD2 3.66Å; I569-L715 HydrophobicContact CD1-CG 4.46Å
570	P	94.3	Very high	93	Very high	13 Å²	13	5.3 Å²	5.3	8%	0.084	3%	0.029	C	C	.	.	H	α-helix	trans	-64.2	-41.5	-178.9	-19.5	36.1	0	0	0	110.8	I573 I574 V623 V633 A637	P570-I573 WeakPolarHBondContact O-CB 3.49Å; P570-I573 PolarHBondContact O-N 2.79Å; P570-I574 WeakPolarHBondContact O-CG1 3.47Å; P570-I574 PolarHBondContact O-N 2.92Å; P570-V623 HydrophobicContact CG-CG1 4.5Å; P570-V633 HydrophobicContact CB-CG1 4.12Å; P570-V633 HydrophobicContact CG-CG1 3.95Å; P570-A637 HydrophobicContact CB-CB 3.76Å
571	D	94.4	Very high	92.8	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-68.7	-37.2	-179.1	-55.3	20.9	0	0	0	111.7	R506 Y568 I569 I573 I574 A575 R640 L711	R506-D571 IonicContact CZ-OD2 3.47Å; R506-D571 IonicContact NH1-OD1 3.73Å; R506-D571 IonicContact NH1-OD2 3.58Å; R506-D571 PolarHBondContact NH1-OD2 3.1Å; R506-D571 IonicContact NH2-OD2 2.69Å; R506-D571 PolarHBondContact NH2-OD2 2.98Å; Y568-D571 PolarHBondContact O-N 2.95Å; I569-D571 VanDerWaalsContact C-N 3.3Å; I569-D571 PolarHBondContact O-N 2.99Å; D571-I573 VanDerWaalsContact C-N 3.35Å; D571-I574 PolarHBondContact O-N 3.14Å; D571-A575 WeakPolarHBondContact O-CB 3.31Å; D571-A575 PolarHBondContact O-N 3.37Å; D571-R640 IonicContact OD1-CZ 3.93Å; D571-R640 IonicContact OD1-NE 3.89Å; D571-R640 IonicContact OD1-NH2 2.95Å; D571-R640 PolarHBondContact OD1-NH2 3.08Å; D571-L711 HydrophobicContact CB-CD1 4.09Å; D571-L711 HydrophobicContact CB-CD2 4.17Å
572	A	95.1	Very high	92.4	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.008	4%	0.036	C	C	.	.	H	α-helix	trans	-65.2	-37.9	173.5	0	0	0	0	0	112.2	Y568 I569 A575 C576 L711 L714 L715	Y568-A572 WeakPolarHBondContact O-CB 3.32Å; Y568-A572 PolarHBondContact O-N 3.41Å; I569-A572 PolarHBondContact O-N 3.32Å; A572-A575 PolarHBondContact O-N 2.84Å; A572-C576 WeakPolarHBondContact O-CB 3.47Å; A572-C576 PolarHBondContact O-N 2.88Å; A572-L711 WeakPolarHBondContact CB-O 3.45Å; A572-L714 HydrophobicContact CB-CB 4.45Å; A572-L715 HydrophobicContact CB-CD1 4.03Å; A572-L715 HydrophobicContact CB-CG 4Å
573	I	96.2	Very high	92.1	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.2	-47.2	174	-69.9	171.1	0	0	0	110	I569 P570 D571 A575 C576 S577 A610 L613 S614 V623 L634 L715	I569-I573 HydrophobicContact CD1-CD1 4.4Å; I569-I573 HydrophobicContact CD1-CG1 4.4Å; I569-I573 HydrophobicContact CG1-CD1 4.04Å; I569-I573 HydrophobicContact CG1-CG1 4.47Å; I569-I573 VanDerWaalsContact O-CG1 3.31Å; I569-I573 WeakPolarHBondContact O-CG1 3.38Å; I569-I573 PolarHBondContact O-N 3.28Å; P570-I573 WeakPolarHBondContact O-CB 3.49Å; P570-I573 PolarHBondContact O-N 2.79Å; D571-I573 VanDerWaalsContact C-N 3.35Å; I573-A575 VanDerWaalsContact C-N 3.33Å; I573-A575 PolarHBondContact O-N 3.36Å; I573-C576 PolarHBondContact O-N 3.37Å; I573-S577 WeakPolarHBondContact O-CB 3.41Å; I573-S577 PolarHBondContact O-N 3.08Å; I573-S577 PolarHBondContact O-OG 3.02Å; I573-S577 VanDerWaalsContact O-OG 3.1Å; I573-A610 HydrophobicContact CG2-CB 3.82Å; I573-A610 WeakPolarHBondContact CG2-O 3.34Å; I573-L613 HydrophobicContact CG2-CB 4.25Å; I573-L613 HydrophobicContact CG2-CD2 4.11Å; I573-L613 HydrophobicContact CG2-CG 4.3Å; I573-S614 WeakPolarHBondContact CD1-OG 3.47Å; I573-V623 HydrophobicContact CD1-CG1 4.34Å; I573-V623 HydrophobicContact CD1-CG2 3.53Å; I573-L634 HydrophobicContact CG2-CD2 4.17Å; I573-L715 HydrophobicContact CG1-CD1 3.93Å
574	I	95.7	Very high	91.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-57.8	-46.5	175	-65.5	-62.8	0	0	0	110.8	P570 D571 C576 S577 I578 L606 I607 A610 L634 A637 V638 L641	P570-I574 WeakPolarHBondContact O-CG1 3.47Å; P570-I574 PolarHBondContact O-N 2.92Å; D571-I574 PolarHBondContact O-N 3.14Å; I574-C576 PolarHBondContact O-N 3.22Å; I574-S577 PolarHBondContact O-N 3.28Å; I574-S577 VanDerWaalsContact O-N 3.17Å; I574-I578 HydrophobicContact CG2-CD1 3.88Å; I574-I578 HydrophobicContact CG2-CG1 4.41Å; I574-I578 WeakPolarHBondContact O-CG1 3.39Å; I574-I578 PolarHBondContact O-N 3.42Å; I574-L606 HydrophobicContact CD1-CG 4.43Å; I574-L606 HydrophobicContact CG2-CD1 4.39Å; I574-L606 HydrophobicContact CG2-CD2 4.17Å; I574-I607 HydrophobicContact CD1-CD1 4.32Å; I574-A610 HydrophobicContact CD1-CB 3.74Å; I574-L634 HydrophobicContact CD1-CB 4.33Å; I574-L634 HydrophobicContact CD1-CD2 4.11Å; I574-L634 HydrophobicContact CG1-CD2 4.42Å; I574-A637 HydrophobicContact CG1-CB 4.09Å; I574-V638 HydrophobicContact CD1-CG2 3.74Å; I574-V638 HydrophobicContact CG1-CG2 4.22Å; I574-V638 HydrophobicContact CG2-CG2 4.31Å; I574-L641 HydrophobicContact CB-CD1 4.18Å; I574-L641 HydrophobicContact CG2-CD1 3.72Å
575	A	94.3	Very high	91.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.5	-39.9	179.8	0	0	0	0	0	113.7	D571 A572 I573 L579 F708 L711 Q712	D571-A575 WeakPolarHBondContact O-CB 3.31Å; D571-A575 PolarHBondContact O-N 3.37Å; A572-A575 PolarHBondContact O-N 2.84Å; I573-A575 VanDerWaalsContact C-N 3.33Å; I573-A575 PolarHBondContact O-N 3.36Å; A575-L579 PolarHBondContact O-N 3.44Å; A575-F708 HydrophobicContact CB-CD1 3.65Å; A575-F708 HydrophobicContact CB-CE1 3.88Å; A575-L711 HydrophobicContact CB-CB 3.71Å; A575-L711 HydrophobicContact CB-CD1 4.22Å; A575-Q712 HydrophobicContact CB-CG 3.96Å; A575-Q712 PolarHBondContact O-NE2 2.85Å; A575-Q712 VanDerWaalsContact O-NE2 3.1Å
576	C	95	Very high	90.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-71	-36.3	173.6	-80.9	0	0	0	0	112.3	A572 I573 I574 L579 S580 L613 L715 F815	A572-C576 WeakPolarHBondContact O-CB 3.47Å; A572-C576 PolarHBondContact O-N 2.88Å; I573-C576 PolarHBondContact O-N 3.37Å; I574-C576 PolarHBondContact O-N 3.22Å; C576-L579 WeakPolarHBondContact O-CB 3.47Å; C576-L579 PolarHBondContact O-N 2.93Å; C576-S580 PolarHBondContact O-N 3.41Å; C576-S580 VanDerWaalsContact O-N 3.09Å; C576-L613 HydrophobicContact CB-CD2 3.75Å; C576-L715 HydrophobicContact CB-CD1 4.35Å; C576-F815 HydrophobicContact CB-CB 4.3Å; C576-F815 HydrophobicContact CB-CD1 4.46Å; C576-F815 PolarHBondContact SG-O 3.26Å
577	S	94.7	Very high	90	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-68.2	-38.1	176.6	-68	0	0	0	0	112.8	I573 I574 L579 S580 L581 A610	I573-S577 WeakPolarHBondContact O-CB 3.41Å; I573-S577 PolarHBondContact O-N 3.08Å; I573-S577 PolarHBondContact O-OG 3.02Å; I573-S577 VanDerWaalsContact O-OG 3.1Å; I574-S577 PolarHBondContact O-N 3.28Å; I574-S577 VanDerWaalsContact O-N 3.17Å; S577-L579 VanDerWaalsContact C-N 3.31Å; S577-L579 PolarHBondContact O-N 2.94Å; S577-S580 WeakPolarHBondContact O-CB 3.36Å; S577-S580 PolarHBondContact O-N 3Å; S577-L581 PolarHBondContact O-N 3.02Å; S577-A610 WeakPolarHBondContact OG-CA 3.34Å; S577-A610 PolarHBondContact OG-N 3.41Å
578	I	91.9	Very high	89.1	Confident	3 Å²	3	25.7 Å²	25.7	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-45	171.7	-71.9	170.4	0	0	0	110.3	I574 S580 L581 Q582 L601 L606 L647 V698 F708	I574-I578 HydrophobicContact CG2-CD1 3.88Å; I574-I578 HydrophobicContact CG2-CG1 4.41Å; I574-I578 WeakPolarHBondContact O-CG1 3.39Å; I574-I578 PolarHBondContact O-N 3.42Å; I578-S580 VanDerWaalsContact C-N 3.29Å; I578-S580 PolarHBondContact O-N 3.05Å; I578-L581 PolarHBondContact O-N 2.69Å; I578-Q582 HydrophobicContact CG2-CG 4.3Å; I578-Q582 WeakPolarHBondContact O-CB 3.41Å; I578-Q582 VanDerWaalsContact O-CG 3.3Å; I578-Q582 WeakPolarHBondContact O-CG 3.33Å; I578-Q582 PolarHBondContact O-N 3.38Å; I578-L601 HydrophobicContact CB-CD1 4.49Å; I578-L601 HydrophobicContact CG1-CD1 4.18Å; I578-L601 HydrophobicContact CG2-CD1 3.9Å; I578-L606 HydrophobicContact CD1-CD2 4.31Å; I578-L606 HydrophobicContact CG1-CD1 3.59Å; I578-L606 HydrophobicContact CG1-CD2 4.1Å; I578-L647 HydrophobicContact CD1-CD2 4Å; I578-V698 HydrophobicContact CD1-CG2 4.45Å; I578-V698 HydrophobicContact CG2-CG2 3.87Å; I578-F708 HydrophobicContact CD1-CE1 3.83Å; I578-F708 HydrophobicContact CD1-CZ 3.9Å
579	L	90.4	Very high	87.8	Confident	20 Å²	20	27.6 Å²	27.6	11%	0.105	15%	0.145	C	C	.	.	H	α-helix	trans	-59.6	-40.3	176.8	179.1	64.3	0	0	0	112.1	A575 C576 S577 R583 L817	A575-L579 PolarHBondContact O-N 3.44Å; C576-L579 WeakPolarHBondContact O-CB 3.47Å; C576-L579 PolarHBondContact O-N 2.93Å; S577-L579 VanDerWaalsContact C-N 3.31Å; S577-L579 PolarHBondContact O-N 2.94Å; L579-R583 WeakPolarHBondContact O-CG 3Å; L579-R583 PolarHBondContact O-N 3.47Å; L579-L817 HydrophobicContact CD2-CB 4.31Å; L579-L817 HydrophobicContact CD2-CD1 4.36Å
580	S	90.6	Very high	86.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65.6	-48.6	176.7	-172.4	0	0	0	0	111.3	C576 S577 I578 Q582 R583 D584 K609 S814	C576-S580 PolarHBondContact O-N 3.41Å; C576-S580 VanDerWaalsContact O-N 3.09Å; S577-S580 WeakPolarHBondContact O-CB 3.36Å; S577-S580 PolarHBondContact O-N 3Å; I578-S580 VanDerWaalsContact C-N 3.29Å; I578-S580 PolarHBondContact O-N 3.05Å; S580-Q582 PolarHBondContact O-N 3.48Å; S580-R583 WeakPolarHBondContact O-CB 3.45Å; S580-R583 PolarHBondContact O-N 3.16Å; S580-R583 VanDerWaalsContact O-N 3.13Å; S580-D584 PolarHBondContact O-N 3.18Å; S580-K609 WeakPolarHBondContact OG-CE 3.18Å; S580-K609 PolarHBondContact OG-NZ 3.44Å; S580-S814 VanDerWaalsContact CA-O 3.3Å; S580-S814 WeakPolarHBondContact CA-O 3.38Å; S580-S814 WeakPolarHBondContact OG-CB 3.26Å; S580-S814 PolarHBondContact OG-OG 3.21Å
581	L	89.3	Confident	84.1	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-40.1	178	-73.3	176.6	0	0	0	113.2	S577 I578 R583 D584 L585 L601 L606 K609	S577-L581 PolarHBondContact O-N 3.02Å; I578-L581 PolarHBondContact O-N 2.69Å; L581-R583 VanDerWaalsContact C-N 3.26Å; L581-R583 PolarHBondContact O-N 3.16Å; L581-D584 PolarHBondContact O-N 3.21Å; L581-L585 WeakPolarHBondContact O-CG 3.44Å; L581-L585 PolarHBondContact O-N 3.44Å; L581-L601 HydrophobicContact CB-CD2 4.15Å; L581-L606 HydrophobicContact CD1-CB 3.99Å; L581-L606 HydrophobicContact CD1-CD1 4.1Å; L581-K609 HydrophobicContact CD2-CD 4.27Å; L581-K609 HydrophobicContact CD2-CG 4.43Å; L581-K609 HydrophobicContact CG-CB 4.46Å; L581-K609 HydrophobicContact CG-CG 4.36Å
582	Q	86.2	Confident	82.1	Confident	31 Å²	31	46.2 Å²	46.2	15%	0.145	24%	0.238	C	C	.	.	H	α-helix	trans	-59.3	-39.2	174.8	-76.2	176.3	-23.3	0	0	111.5	I578 S580 I586 C596 L599	I578-Q582 HydrophobicContact CG2-CG 4.3Å; I578-Q582 WeakPolarHBondContact O-CB 3.41Å; I578-Q582 VanDerWaalsContact O-CG 3.3Å; I578-Q582 WeakPolarHBondContact O-CG 3.33Å; I578-Q582 PolarHBondContact O-N 3.38Å; S580-Q582 PolarHBondContact O-N 3.48Å; Q582-I586 VanDerWaalsContact O-CD1 3.23Å; Q582-I586 WeakPolarHBondContact O-CD1 3.38Å; Q582-I586 WeakPolarHBondContact O-CG1 3.45Å; Q582-I586 PolarHBondContact O-N 2.96Å; Q582-I586 VanDerWaalsContact O-N 3.13Å; Q582-C596 PolarHBondContact NE2-O 3.28Å; Q582-C596 VanDerWaalsContact NE2-O 3.17Å; Q582-L599 HydrophobicContact CG-CD1 4.34Å
583	R	85.8	Confident	79.8	Confident	65 Å²	65	51.3 Å²	51.3	25%	0.245	27%	0.271	C	S	.	.	H	α-helix	trans	-69.3	-38.9	176.7	-71.9	169.5	172.5	170.3	-4.9	112.5	L579 S580 L581 T587 L813 S814 T816	L579-R583 WeakPolarHBondContact O-CG 3Å; L579-R583 PolarHBondContact O-N 3.47Å; S580-R583 WeakPolarHBondContact O-CB 3.45Å; S580-R583 PolarHBondContact O-N 3.16Å; S580-R583 VanDerWaalsContact O-N 3.13Å; L581-R583 VanDerWaalsContact C-N 3.26Å; L581-R583 PolarHBondContact O-N 3.16Å; R583-T587 PolarHBondContact O-N 3.11Å; R583-T587 VanDerWaalsContact O-N 3.15Å; R583-T587 PolarHBondContact O-OG1 3.02Å; R583-L813 PolarHBondContact NH1-O 3.08Å; R583-S814 VanDerWaalsContact NH1-C 3.32Å; R583-S814 PolarHBondContact NH1-O 3.42Å; R583-T816 VanDerWaalsContact CZ-O 3.28Å; R583-T816 PolarHBondContact NH1-O 3.37Å; R583-T816 PolarHBondContact NH2-O 2.85Å
584	D	83.1	Confident	77.6	Confident	45 Å²	45	62.7 Å²	62.7	24%	0.241	31%	0.314	C	S	.	.	H	α-helix	trans	-62.7	-48.5	176.7	-65.7	-17.8	0	0	0	110	S580 L581 I586 T587 E588 K609	S580-D584 PolarHBondContact O-N 3.18Å; L581-D584 PolarHBondContact O-N 3.21Å; D584-I586 PolarHBondContact O-N 2.98Å; D584-T587 WeakPolarHBondContact O-CA 3.3Å; D584-T587 WeakPolarHBondContact O-CB 3.4Å; D584-T587 PolarHBondContact O-N 3.16Å; D584-E588 WeakPolarHBondContact O-CG 3.07Å; D584-E588 PolarHBondContact O-N 3.35Å; D584-K609 IonicContact OD2-NZ 3.95Å; D584-K609 PolarHBondContact OD2-NZ 3.43Å
585	L	80.6	Confident	75.4	Confident	28 Å²	28	67.9 Å²	67.9	15%	0.147	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-39.9	178.2	-70.6	172.5	0	0	0	113.6	L581 T587 E588 S589 L599 L601	L581-L585 WeakPolarHBondContact O-CG 3.44Å; L581-L585 PolarHBondContact O-N 3.44Å; L585-T587 PolarHBondContact O-N 3.05Å; L585-E588 PolarHBondContact O-N 3.41Å; L585-S589 PolarHBondContact O-N 3.12Å; L585-S589 PolarHBondContact O-OG 3.13Å; L585-L599 HydrophobicContact CB-CD1 4.44Å; L585-L599 HydrophobicContact CD1-CB 4.4Å; L585-L599 HydrophobicContact CD1-CD1 4.45Å; L585-L601 HydrophobicContact CD1-CD2 3.61Å
586	I	77.3	Confident	73.3	Confident	83 Å²	83	70.5 Å²	70.5	43%	0.426	36%	0.36	S	S	.	.	H	α-helix	trans	-63.7	-34.1	175.2	-68.5	161.4	0	0	0	111.1	Q582 D584 C596	Q582-I586 VanDerWaalsContact O-CD1 3.23Å; Q582-I586 WeakPolarHBondContact O-CD1 3.38Å; Q582-I586 WeakPolarHBondContact O-CG1 3.45Å; Q582-I586 PolarHBondContact O-N 2.96Å; Q582-I586 VanDerWaalsContact O-N 3.13Å; D584-I586 PolarHBondContact O-N 2.98Å; I586-C596 VanDerWaalsContact CD1-SG 3.53Å
587	T	76.8	Confident	71.3	Confident	115 Å²	115	72.4 Å²	72.4	71%	0.706	37%	0.373	S	S	*	.	H	α-helix	trans	-74.1	-37.6	178.6	-54.1	0	0	0	0	111.2	R583 D584 L585	R583-T587 PolarHBondContact O-N 3.11Å; R583-T587 VanDerWaalsContact O-N 3.15Å; R583-T587 PolarHBondContact O-OG1 3.02Å; D584-T587 WeakPolarHBondContact O-CA 3.3Å; D584-T587 WeakPolarHBondContact O-CB 3.4Å; D584-T587 PolarHBondContact O-N 3.16Å; L585-T587 PolarHBondContact O-N 3.05Å
588	E	73.5	Confident	69.6	Low	127 Å²	127	75.7 Å²	75.7	59%	0.593	40%	0.396	S	S	*	.	H	α-helix	trans	-73.6	-31.3	179	-70.4	172.2	-179.6	0	0	113.2	D584 L585	D584-E588 WeakPolarHBondContact O-CG 3.07Å; D584-E588 PolarHBondContact O-N 3.35Å; L585-E588 PolarHBondContact O-N 3.41Å
589	S	64.9	Low	68.7	Low	40 Å²	40	76.9 Å²	76.9	28%	0.28	40%	0.402	S	S	.	.			trans	-130	69.9	-172.5	63.2	0	0	0	0	114.3	L585 H591 Q592	L585-S589 PolarHBondContact O-N 3.12Å; L585-S589 PolarHBondContact O-OG 3.13Å; S589-H591 PolarHBondContact O-N 3.39Å; S589-Q592 PolarHBondContact O-N 3.22Å
590	P	60.8	Low	68.2	Low	95 Å²	95	78.2 Å²	78.2	62%	0.617	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-5.1	-175.6	26.1	-34.5	0	0	0	115.5
591	H	50.5	Low	67.9	Low	187 Å²	187	78.4 Å²	78.4	87%	0.866	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-3.8	-174.9	-63.8	-53.7	0	0	0	115.2	S589	S589-H591 PolarHBondContact O-N 3.39Å
592	Q	51.2	Low	67.8	Low	126 Å²	126	78.6 Å²	78.6	59%	0.589	41%	0.412	S	S	*	.	S	Bend	trans	-85.7	150	172.2	-83.4	-179.2	-8.5	0	0	111.8	S589	S589-Q592 PolarHBondContact O-N 3.22Å
593	P	46.3	Very low	68	Low	108 Å²	108	78.1 Å²	78.1	70%	0.701	41%	0.41	S	S	*	.			trans	-59.2	140.8	-180	21.7	-29.8	0	0	0	111.7	D595	P593-D595 PolarHBondContact O-N 2.84Å
594	R	50.3	Low	68.1	Low	240 Å²	240	80.3 Å²	80.3	91%	0.906	42%	0.423	S	S	*	.	S	Bend	trans	-70	26.5	-172.2	-67.3	-179.1	175.2	174.1	-1.5	115.2	C596	R594-C596 VanDerWaalsContact C-N 3.3Å; R594-C596 PolarHBondContact O-N 3.34Å; R594-C596 VanDerWaalsContact O-N 3.07Å
595	D	51	Low	68.3	Low	108 Å²	108	81.5 Å²	81.5	58%	0.578	42%	0.424	S	S	*	.			trans	-85.7	78.7	174.3	-72.2	-20.9	0	0	0	108.7	P593 S597 S598	P593-D595 PolarHBondContact O-N 2.84Å; D595-S597 PolarHBondContact O-N 3.32Å; D595-S598 PolarHBondContact O-N 3.09Å; D595-S598 PolarHBondContact O-OG 2.76Å
596	C	49.9	Very low	68.8	Low	56 Å²	56	80.2 Å²	80.2	38%	0.378	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-18.3	-179	-71.3	0	0	0	0	114.8	Q582 I586 R594	Q582-C596 PolarHBondContact NE2-O 3.28Å; Q582-C596 VanDerWaalsContact NE2-O 3.17Å; I586-C596 VanDerWaalsContact CD1-SG 3.53Å; R594-C596 VanDerWaalsContact C-N 3.3Å; R594-C596 PolarHBondContact O-N 3.34Å; R594-C596 VanDerWaalsContact O-N 3.07Å
597	S	52.1	Low	69.5	Low	40 Å²	40	76.6 Å²	76.6	28%	0.28	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	0.3	-171.4	55.2	0	0	0	0	113.5	D595 L700	D595-S597 PolarHBondContact O-N 3.32Å; S597-L700 VanDerWaalsContact O-CD2 3.32Å; S597-L700 WeakPolarHBondContact O-CD2 3.31Å; S597-L700 WeakPolarHBondContact OG-CD2 3.3Å
598	S	59.1	Low	70.1	Confident	68 Å²	68	73.5 Å²	73.5	48%	0.476	38%	0.376	S	S	.	.	S	Bend	trans	-104	0.1	173.1	65.3	0	0	0	0	114.3	D595 L600	D595-S598 PolarHBondContact O-N 3.09Å; D595-S598 PolarHBondContact O-OG 2.76Å; S598-L600 PolarHBondContact O-N 2.87Å
599	L	72.2	Confident	70.9	Confident	29 Å²	29	69.3 Å²	69.3	15%	0.152	36%	0.356	C	S	.	.			trans	-68.3	129.7	-175.2	-66.1	171.6	0	0	0	111.8	Q582 L585	Q582-L599 HydrophobicContact CG-CD1 4.34Å; L585-L599 HydrophobicContact CB-CD1 4.44Å; L585-L599 HydrophobicContact CD1-CB 4.4Å; L585-L599 HydrophobicContact CD1-CD1 4.45Å
600	L	80.3	Confident	72.3	Confident	47 Å²	47	67.4 Å²	67.4	25%	0.246	34%	0.343	C	S	.	.			trans	-75.8	122.9	174.6	-163.4	89.4	0	0	0	109.3	S598 A650 D653 M657 Y695 K697	S598-L600 PolarHBondContact O-N 2.87Å; L600-A650 HydrophobicContact CD1-CB 3.44Å; L600-A650 VanDerWaalsContact CD1-CB 3.44Å; L600-D653 HydrophobicContact CD1-CB 4.22Å; L600-M657 HydrophobicContact CD2-SD 4.18Å; L600-Y695 HydrophobicContact CD1-CG 4.39Å; L600-Y695 HydrophobicContact CD2-CD1 3.25Å; L600-Y695 HydrophobicContact CD2-CD2 4.22Å; L600-Y695 HydrophobicContact CD2-CE1 3.78Å; L600-Y695 HydrophobicContact CD2-CG 3.5Å; L600-Y695 VanDerWaalsContact CD2-CG 3.5Å; L600-Y695 HydrophobicContact CG-CD1 3.58Å; L600-Y695 HydrophobicContact CG-CE1 4.48Å; L600-Y695 HydrophobicContact CG-CG 3.84Å; L600-K697 VanDerWaalsContact CD1-CE 3.46Å; L600-K697 HydrophobicContact CD1-CG 4.33Å
601	L	84.4	Confident	73.8	Confident	4 Å²	4	63 Å²	63	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.5	-178.6	-59.5	172.5	0	0	0	110.1	I578 L581 L585 Q603 Y695 V696 V698	I578-L601 HydrophobicContact CB-CD1 4.49Å; I578-L601 HydrophobicContact CG1-CD1 4.18Å; I578-L601 HydrophobicContact CG2-CD1 3.9Å; L581-L601 HydrophobicContact CB-CD2 4.15Å; L585-L601 HydrophobicContact CD1-CD2 3.61Å; L601-Q603 PolarHBondContact O-N 3.33Å; L601-Y695 CarbonylContact O-C 3.6Å; L601-Y695 WeakPolarHBondContact O-CA 3.31Å; L601-V696 HydrophobicContact CB-CG2 3.97Å; L601-V696 WeakPolarHBondContact CB-O 3.37Å; L601-V696 PolarHBondContact N-O 3.39Å; L601-V696 PolarHBondContact O-N 2.96Å; L601-V698 HydrophobicContact CD1-CG2 4.44Å
602	S	87.7	Confident	75.7	Confident	9 Å²	9	54.6 Å²	54.6	6%	0.063	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.7	169	151.1	0	0	0	0	109.8	E604 R605 L606 D693	S602-E604 VanDerWaalsContact C-N 3.34Å; S602-E604 PolarHBondContact OG-N 3.37Å; S602-R605 WeakPolarHBondContact OG-CG 3.5Å; S602-R605 PolarHBondContact OG-N 3.08Å; S602-L606 WeakPolarHBondContact O-CB 3.5Å; S602-L606 PolarHBondContact O-N 2.81Å; S602-D693 WeakPolarHBondContact CB-OD2 3.17Å; S602-D693 PolarHBondContact OG-OD1 3.25Å; S602-D693 PolarHBondContact OG-OD2 2.97Å
603	Q	89.3	Confident	77.7	Confident	20 Å²	20	48.6 Å²	48.6	9%	0.093	25%	0.25	C	S	.	.	H	α-helix	trans	-65.8	-40.3	176.3	179.2	173.8	-24.8	0	0	110.3	L601 L606 I607 N635 V638 D693 R694	L601-Q603 PolarHBondContact O-N 3.33Å; Q603-L606 WeakPolarHBondContact O-CB 3.23Å; Q603-L606 PolarHBondContact O-N 2.91Å; Q603-I607 HydrophobicContact CG-CG1 4.25Å; Q603-I607 VanDerWaalsContact O-CG1 3.24Å; Q603-I607 WeakPolarHBondContact O-CG1 3.25Å; Q603-I607 PolarHBondContact O-N 3.2Å; Q603-N635 PolarHBondContact NE2-OD1 3.19Å; Q603-V638 HydrophobicContact CG-CG1 4.48Å; Q603-D693 PolarHBondContact N-OD1 3.38Å; Q603-R694 HydrophobicContact CB-CB 4.23Å; Q603-R694 WeakPolarHBondContact CB-O 3.46Å; Q603-R694 PolarHBondContact N-O 2.79Å
604	E	87.9	Confident	79.8	Confident	112 Å²	112	43.6 Å²	43.6	52%	0.523	22%	0.217	S	C	.	.	H	α-helix	trans	-59.4	-51.3	177.6	-169.9	-176.4	164	0	0	111.7	S602 L606 I607 H608 D693	S602-E604 VanDerWaalsContact C-N 3.34Å; S602-E604 PolarHBondContact OG-N 3.37Å; E604-L606 VanDerWaalsContact C-N 3.29Å; E604-L606 PolarHBondContact O-N 3.43Å; E604-I607 PolarHBondContact O-N 2.84Å; E604-I607 VanDerWaalsContact O-N 3.15Å; E604-H608 PolarHBondContact O-CD2 3.02Å; E604-H608 VanDerWaalsContact O-CD2 3.28Å; E604-H608 PolarHBondContact O-N 3.03Å; E604-H608 IonicContact OE1-NE2 2.89Å; E604-D693 PolarHBondContact N-OD1 3.44Å
605	R	88.1	Confident	81.7	Confident	70 Å²	70	34.7 Å²	34.7	26%	0.264	19%	0.186	S	C	.	.	H	α-helix	trans	-58.5	-41.2	176.2	-68.8	179.7	67.9	-171.4	5.8	111.9	D427 S602 H608 K609	D427-R605 HydrophobicContact CB-CG 4.27Å; D427-R605 IonicContact OD2-CZ 3.65Å; D427-R605 IonicContact OD2-NE 3.87Å; D427-R605 PolarHBondContact OD2-NE 2.97Å; D427-R605 IonicContact OD2-NH2 2.67Å; D427-R605 PolarHBondContact OD2-NH2 2.87Å; S602-R605 WeakPolarHBondContact OG-CG 3.5Å; S602-R605 PolarHBondContact OG-N 3.08Å; R605-H608 PolarHBondContact O-N 3.07Å; R605-K609 WeakPolarHBondContact O-CB 3.24Å; R605-K609 PolarHBondContact O-N 3.42Å
606	L	91.2	Very high	83.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-46.4	176.3	173.7	59.2	0	0	0	112.1	I574 I578 L581 S602 Q603 E604 K609 A610 V638 V696	I574-L606 HydrophobicContact CD1-CG 4.43Å; I574-L606 HydrophobicContact CG2-CD1 4.39Å; I574-L606 HydrophobicContact CG2-CD2 4.17Å; I578-L606 HydrophobicContact CD1-CD2 4.31Å; I578-L606 HydrophobicContact CG1-CD1 3.59Å; I578-L606 HydrophobicContact CG1-CD2 4.1Å; L581-L606 HydrophobicContact CD1-CB 3.99Å; L581-L606 HydrophobicContact CD1-CD1 4.1Å; S602-L606 WeakPolarHBondContact O-CB 3.5Å; S602-L606 PolarHBondContact O-N 2.81Å; Q603-L606 WeakPolarHBondContact O-CB 3.23Å; Q603-L606 PolarHBondContact O-N 2.91Å; E604-L606 VanDerWaalsContact C-N 3.29Å; E604-L606 PolarHBondContact O-N 3.43Å; L606-K609 PolarHBondContact O-N 3.33Å; L606-A610 VanDerWaalsContact O-CB 3.23Å; L606-A610 WeakPolarHBondContact O-CB 3.41Å; L606-A610 PolarHBondContact O-N 2.89Å; L606-V638 HydrophobicContact CD2-CG2 4.14Å; L606-V696 HydrophobicContact CD2-CG2 4.3Å
607	I	92.1	Very high	85.6	Confident	7 Å²	7	27 Å²	27	4%	0.036	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-43.1	-179.8	-66.4	-67	0	0	0	110.6	I574 Q603 E604 A610 A611 Y631 L634 V638	I574-I607 HydrophobicContact CD1-CD1 4.32Å; Q603-I607 HydrophobicContact CG-CG1 4.25Å; Q603-I607 VanDerWaalsContact O-CG1 3.24Å; Q603-I607 WeakPolarHBondContact O-CG1 3.25Å; Q603-I607 PolarHBondContact O-N 3.2Å; E604-I607 PolarHBondContact O-N 2.84Å; E604-I607 VanDerWaalsContact O-N 3.15Å; I607-A610 CarbonylContact O-C 3.57Å; I607-A610 PolarHBondContact O-N 3.17Å; I607-A611 WeakPolarHBondContact O-CB 3.4Å; I607-A611 PolarHBondContact O-N 2.74Å; I607-Y631 HydrophobicContact CG2-CD1 3.43Å; I607-Y631 VanDerWaalsContact CG2-CD1 3.43Å; I607-Y631 HydrophobicContact CG2-CE1 4.03Å; I607-Y631 HydrophobicContact CG2-CG 4.41Å; I607-L634 HydrophobicContact CD1-CB 3.65Å; I607-L634 HydrophobicContact CG2-CB 4.47Å; I607-V638 HydrophobicContact CD1-CG2 3.82Å
608	H	89.8	Confident	87.3	Confident	50 Å²	50	28.6 Å²	28.6	23%	0.231	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-46	175.6	-80.7	-68.7	0	0	0	112.4	F430 E604 R605 A610 A611 G612 Y631	F430-H608 AromaticContact CD2-CE1 3.6Å; F430-H608 AromaticContact CD2-ND1 3.56Å; F430-H608 AromaticContact CE2-ND1 3.66Å; E604-H608 PolarHBondContact O-CD2 3.02Å; E604-H608 VanDerWaalsContact O-CD2 3.28Å; E604-H608 PolarHBondContact O-N 3.03Å; E604-H608 IonicContact OE1-NE2 2.89Å; R605-H608 PolarHBondContact O-N 3.07Å; H608-A610 VanDerWaalsContact C-N 3.3Å; H608-A610 PolarHBondContact O-N 2.9Å; H608-A611 PolarHBondContact O-N 3.44Å; H608-G612 PolarHBondContact O-N 2.87Å; H608-Y631 AromaticContact CE1-CE1 3.88Å; H608-Y631 AromaticContact ND1-CE1 3.77Å; H608-Y631 PolarHBondContact ND1-OH 2.69Å
609	K	90.7	Very high	88.7	Confident	40 Å²	40	26 Å²	26	17%	0.174	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-42.4	176.7	-160.3	84.7	174.8	-157.6	0	111.4	S580 L581 D584 R605 L606 G612 L613 F815	S580-K609 WeakPolarHBondContact OG-CE 3.18Å; S580-K609 PolarHBondContact OG-NZ 3.44Å; L581-K609 HydrophobicContact CD2-CD 4.27Å; L581-K609 HydrophobicContact CD2-CG 4.43Å; L581-K609 HydrophobicContact CG-CB 4.46Å; L581-K609 HydrophobicContact CG-CG 4.36Å; D584-K609 IonicContact OD2-NZ 3.95Å; D584-K609 PolarHBondContact OD2-NZ 3.43Å; R605-K609 WeakPolarHBondContact O-CB 3.24Å; R605-K609 PolarHBondContact O-N 3.42Å; L606-K609 PolarHBondContact O-N 3.33Å; K609-G612 PolarHBondContact O-N 2.76Å; K609-L613 PolarHBondContact O-N 2.98Å; K609-L613 VanDerWaalsContact O-N 3.1Å; K609-F815 HydrophobicContact CD-CZ 4.4Å; K609-F815 HydrophobicContact CG-CE1 3.89Å; K609-F815 HydrophobicContact CG-CZ 4.11Å
610	A	93.6	Very high	89.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67.8	-35.3	175.6	0	0	0	0	0	113.8	I573 I574 S577 L606 I607 H608 L613 S614 L634	I573-A610 HydrophobicContact CG2-CB 3.82Å; I573-A610 WeakPolarHBondContact CG2-O 3.34Å; I574-A610 HydrophobicContact CD1-CB 3.74Å; S577-A610 WeakPolarHBondContact OG-CA 3.34Å; S577-A610 PolarHBondContact OG-N 3.41Å; L606-A610 VanDerWaalsContact O-CB 3.23Å; L606-A610 WeakPolarHBondContact O-CB 3.41Å; L606-A610 PolarHBondContact O-N 2.89Å; I607-A610 CarbonylContact O-C 3.57Å; I607-A610 PolarHBondContact O-N 3.17Å; H608-A610 VanDerWaalsContact C-N 3.3Å; H608-A610 PolarHBondContact O-N 2.9Å; A610-L613 PolarHBondContact O-N 3.1Å; A610-S614 WeakPolarHBondContact O-CB 3.44Å; A610-S614 PolarHBondContact O-N 3.24Å; A610-S614 PolarHBondContact O-OG 2.92Å; A610-L634 HydrophobicContact CB-CD1 3.75Å; A610-L634 HydrophobicContact CB-CD2 4.1Å; A610-L634 HydrophobicContact CB-CG 4.47Å
611	A	91.5	Very high	89.7	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-44.1	172.5	0	0	0	0	0	110.5	I607 H608 L613 S614 H615 Y631 L634	I607-A611 WeakPolarHBondContact O-CB 3.4Å; I607-A611 PolarHBondContact O-N 2.74Å; H608-A611 PolarHBondContact O-N 3.44Å; A611-L613 PolarHBondContact O-N 3.25Å; A611-S614 WeakPolarHBondContact O-CB 3.49Å; A611-S614 PolarHBondContact O-N 3.41Å; A611-S614 VanDerWaalsContact O-N 3.13Å; A611-H615 PolarHBondContact O-CD2 2.91Å; A611-H615 PolarHBondContact O-N 3.38Å; A611-Y631 HydrophobicContact CB-CE1 3.95Å; A611-Y631 HydrophobicContact CB-CE2 4.47Å; A611-L634 HydrophobicContact CB-CD1 4.14Å
612	G	90.6	Very high	89.7	Confident	12 Å²	12	26.3 Å²	26.3	12%	0.124	14%	0.141	C	C	.	.	H	α-helix	trans	-56.9	-46.3	174.2	0	0	0	0	0	113	L417 H608 K609 H615 F616	L417-G612 WeakPolarHBondContact CD2-O 3.4Å; H608-G612 PolarHBondContact O-N 2.87Å; K609-G612 PolarHBondContact O-N 2.76Å; G612-H615 PolarHBondContact O-N 2.93Å; G612-F616 WeakPolarHBondContact O-CB 3.23Å; G612-F616 PolarHBondContact O-N 3.5Å
613	L	92.8	Very high	89.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.1	-39	174.6	-179.1	58.8	0	0	0	112.2	I573 C576 K609 A610 A611 F616 L617 L715 L719 F815	I573-L613 HydrophobicContact CG2-CB 4.25Å; I573-L613 HydrophobicContact CG2-CD2 4.11Å; I573-L613 HydrophobicContact CG2-CG 4.3Å; C576-L613 HydrophobicContact CB-CD2 3.75Å; K609-L613 PolarHBondContact O-N 2.98Å; K609-L613 VanDerWaalsContact O-N 3.1Å; A610-L613 PolarHBondContact O-N 3.1Å; A611-L613 PolarHBondContact O-N 3.25Å; L613-F616 HydrophobicContact CD1-CD1 4.47Å; L613-F616 WeakPolarHBondContact O-CB 3.33Å; L613-F616 PolarHBondContact O-N 3.45Å; L613-L617 HydrophobicContact CD1-CD1 3.91Å; L613-L617 HydrophobicContact CD1-CG 4.1Å; L613-L617 HydrophobicContact CG-CD1 4.07Å; L613-L617 WeakPolarHBondContact O-CG 3.37Å; L613-L617 PolarHBondContact O-N 2.87Å; L613-L715 HydrophobicContact CD2-CD1 4.36Å; L613-L719 HydrophobicContact CD1-CD2 4.19Å; L613-F815 HydrophobicContact CB-CE1 4.16Å; L613-F815 HydrophobicContact CB-CZ 4.34Å; L613-F815 HydrophobicContact CD1-CD1 4.5Å; L613-F815 HydrophobicContact CD1-CD2 4.28Å; L613-F815 HydrophobicContact CD1-CG 4.23Å; L613-F815 HydrophobicContact CD2-CB 4.49Å; L613-F815 HydrophobicContact CD2-CD1 3.8Å; L613-F815 HydrophobicContact CD2-CE1 4.24Å; L613-F815 HydrophobicContact CD2-CG 4.18Å; L613-F815 HydrophobicContact CG-CD1 4.5Å
614	S	92.1	Very high	89.7	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.014	14%	0.144	C	C	.	.	H	α-helix	trans	-61.1	-45.8	176.2	-60.8	0	0	0	0	111.7	I573 A610 A611 F616 L617 T618	I573-S614 WeakPolarHBondContact CD1-OG 3.47Å; A610-S614 WeakPolarHBondContact O-CB 3.44Å; A610-S614 PolarHBondContact O-N 3.24Å; A610-S614 PolarHBondContact O-OG 2.92Å; A611-S614 WeakPolarHBondContact O-CB 3.49Å; A611-S614 PolarHBondContact O-N 3.41Å; A611-S614 VanDerWaalsContact O-N 3.13Å; S614-F616 VanDerWaalsContact C-N 3.35Å; S614-F616 PolarHBondContact O-N 2.88Å; S614-L617 PolarHBondContact O-N 3.13Å; S614-T618 PolarHBondContact O-N 3.45Å; S614-T618 PolarHBondContact O-OG1 2.7Å
615	H	89.9	Confident	89.8	Confident	54 Å²	54	21.7 Å²	21.7	25%	0.25	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-44.1	175.7	-73	-57.9	0	0	0	111.3	L413 L417 A611 G612 L617 T618	L413-H615 HydrophobicContact CD1-CB 4.16Å; L413-H615 VanDerWaalsContact CD1-O 3.24Å; L413-H615 WeakPolarHBondContact CD1-O 3.5Å; L417-H615 HydrophobicContact CD1-CB 4.35Å; L417-H615 HydrophobicContact CD2-CB 4.11Å; L417-H615 HydrophobicContact CG-CB 4.36Å; A611-H615 PolarHBondContact O-CD2 2.91Å; A611-H615 PolarHBondContact O-N 3.38Å; G612-H615 PolarHBondContact O-N 2.93Å; H615-L617 PolarHBondContact O-N 3.03Å; H615-T618 WeakPolarHBondContact CA-OG1 3.29Å; H615-T618 WeakPolarHBondContact O-CB 3.46Å; H615-T618 PolarHBondContact O-N 3.19Å; H615-T618 PolarHBondContact O-OG1 2.77Å
616	F	91.3	Very high	89.8	Confident	1 Å²	1	20.8 Å²	20.8	0%	0.004	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-35.3	177.1	-175	-105.3	0	0	0	112.9	L417 G612 L613 S614 Y722 T775 L779 Y811 I812	L417-F616 HydrophobicContact CD1-CB 3.88Å; L417-F616 HydrophobicContact CD1-CD2 4.14Å; G612-F616 WeakPolarHBondContact O-CB 3.23Å; G612-F616 PolarHBondContact O-N 3.5Å; L613-F616 HydrophobicContact CD1-CD1 4.47Å; L613-F616 WeakPolarHBondContact O-CB 3.33Å; L613-F616 PolarHBondContact O-N 3.45Å; S614-F616 VanDerWaalsContact C-N 3.35Å; S614-F616 PolarHBondContact O-N 2.88Å; F616-Y722 AromaticContact CE1-CD1 3.47Å; F616-Y722 HydrophobicContact CE1-CD1 3.47Å; F616-Y722 VanDerWaalsContact CE1-CD1 3.47Å; F616-Y722 AromaticContact CE1-CE1 3.98Å; F616-Y722 HydrophobicContact CE1-CE1 3.98Å; F616-Y722 HydrophobicContact CE1-CG 4.07Å; F616-Y722 HydrophobicContact CE2-CD1 4.35Å; F616-Y722 AromaticContact CZ-CD1 3.38Å; F616-Y722 HydrophobicContact CZ-CD1 3.38Å; F616-Y722 HydrophobicContact CZ-CE1 4.01Å; F616-Y722 HydrophobicContact CZ-CG 4.23Å; F616-T775 HydrophobicContact CE2-CG2 4.48Å; F616-L779 HydrophobicContact CE2-CD2 4.21Å; F616-Y811 HydrophobicContact CD2-CE1 4.29Å; F616-Y811 HydrophobicContact CG-CE1 4.38Å; F616-I812 HydrophobicContact CE1-CG1 4.22Å; F616-I812 HydrophobicContact CE2-CG1 4.49Å; F616-I812 HydrophobicContact CZ-CD1 3.93Å; F616-I812 HydrophobicContact CZ-CG1 3.72Å
617	L	91.5	Very high	89.6	Confident	2 Å²	2	22.2 Å²	22.2	1%	0.01	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	9.2	-178.8	-62.7	178.5	0	0	0	114.6	L613 S614 H615 N619 E620 V621 L715 V718	L613-L617 HydrophobicContact CD1-CD1 3.91Å; L613-L617 HydrophobicContact CD1-CG 4.1Å; L613-L617 HydrophobicContact CG-CD1 4.07Å; L613-L617 WeakPolarHBondContact O-CG 3.37Å; L613-L617 PolarHBondContact O-N 2.87Å; S614-L617 PolarHBondContact O-N 3.13Å; H615-L617 PolarHBondContact O-N 3.03Å; L617-N619 PolarHBondContact O-N 3.04Å; L617-E620 HydrophobicContact CD2-CG 4.38Å; L617-E620 WeakPolarHBondContact O-CB 3.37Å; L617-E620 PolarHBondContact O-N 3.28Å; L617-V621 HydrophobicContact CB-CG1 4.49Å; L617-V621 PolarHBondContact O-N 3.12Å; L617-V621 VanDerWaalsContact O-N 3.16Å; L617-L715 HydrophobicContact CD1-CD1 4.25Å; L617-L715 HydrophobicContact CD1-CD2 3.89Å; L617-V718 HydrophobicContact CD2-CG1 3.88Å
618	T	88.1	Confident	89.3	Confident	73 Å²	73	25.1 Å²	25.1	45%	0.448	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.3	-175.3	-62	0	0	0	0	113.9	S614 H615	S614-T618 PolarHBondContact O-N 3.45Å; S614-T618 PolarHBondContact O-OG1 2.7Å; H615-T618 WeakPolarHBondContact CA-OG1 3.29Å; H615-T618 WeakPolarHBondContact O-CB 3.46Å; H615-T618 PolarHBondContact O-N 3.19Å; H615-T618 PolarHBondContact O-OG1 2.77Å
619	N	88.4	Confident	89.2	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.064	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-18.1	178.6	-74.7	-45.5	0	0	0	114.2	L617 N771 K774 T775 E778	L617-N619 PolarHBondContact O-N 3.04Å; N619-N771 PolarHBondContact O-ND2 3.34Å; N619-K774 PolarHBondContact OD1-NZ 2.94Å; N619-T775 PolarHBondContact ND2-OG1 2.81Å; N619-E778 PolarHBondContact ND2-OE2 3.38Å
620	E	88.1	Confident	89.1	Confident	5 Å²	5	26 Å²	26	2%	0.023	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-36.8	179.5	-59.1	-61.6	162.4	0	0	111.9	L617 V718 Y722 L768 N771	L617-E620 HydrophobicContact CD2-CG 4.38Å; L617-E620 WeakPolarHBondContact O-CB 3.37Å; L617-E620 PolarHBondContact O-N 3.28Å; E620-V718 HydrophobicContact CG-CG1 3.84Å; E620-Y722 HydrophobicContact CG-CE2 4.25Å; E620-Y722 VanDerWaalsContact OE1-CE2 3.25Å; E620-Y722 WeakPolarHBondContact OE1-CE2 3.41Å; E620-Y722 PolarHBondContact OE1-OH 2.89Å; E620-L768 WeakPolarHBondContact OE2-CD2 3.24Å; E620-N771 VanDerWaalsContact CD-ND2 3.32Å; E620-N771 WeakPolarHBondContact OE1-CB 3.35Å; E620-N771 PolarHBondContact OE1-ND2 3.39Å; E620-N771 PolarHBondContact OE2-ND2 3.38Å
621	V	84.3	Confident	89	Confident	20 Å²	20	29.3 Å²	29.3	12%	0.121	17%	0.174	C	C	.	.			trans	-156.6	141.4	-172	66.4	0	0	0	0	112.3	F565 I569 L617 V623	F565-V621 HydrophobicContact CD1-CB 4.33Å; F565-V621 HydrophobicContact CD1-CG2 4Å; F565-V621 HydrophobicContact CE1-CB 3.77Å; F565-V621 HydrophobicContact CE1-CG1 4.04Å; F565-V621 HydrophobicContact CE1-CG2 3.89Å; I569-V621 HydrophobicContact CB-CG2 4.36Å; I569-V621 HydrophobicContact CD1-CG1 3.93Å; I569-V621 HydrophobicContact CG1-CB 4.39Å; I569-V621 HydrophobicContact CG1-CG1 3.7Å; I569-V621 HydrophobicContact CG1-CG2 3.91Å; I569-V621 HydrophobicContact CG2-CG2 4.21Å; L617-V621 HydrophobicContact CB-CG1 4.49Å; L617-V621 PolarHBondContact O-N 3.12Å; L617-V621 VanDerWaalsContact O-N 3.16Å; V621-V623 HydrophobicContact CG1-CG2 4.32Å
622	A	85.8	Confident	88.9	Confident	62 Å²	62	34 Å²	34	51%	0.512	20%	0.196	S	C	.	.			trans	-86.3	110.8	167.3	0	0	0	0	0	108.8	F461	F461-A622 HydrophobicContact CD2-CB 4.02Å
623	V	88.3	Confident	89	Confident	11 Å²	11	34.1 Å²	34.1	7%	0.067	19%	0.194	C	C	.	.			trans	-75.5	-40.1	177.7	-178.2	0	0	0	0	111	P570 I573 V621 V633	P570-V623 HydrophobicContact CG-CG1 4.5Å; I573-V623 HydrophobicContact CD1-CG1 4.34Å; I573-V623 HydrophobicContact CD1-CG2 3.53Å; V621-V623 HydrophobicContact CG1-CG2 4.32Å; V623-V633 HydrophobicContact CG1-CG1 4.12Å
624	A	88.3	Confident	89	Confident	19 Å²	19	34.1 Å²	34.1	16%	0.157	19%	0.194	C	C	.	.	S	Bend	trans	-127.3	150	-178.2	0	0	0	0	0	111.4	I630 V633	A624-I630 HydrophobicContact CB-CG1 4.26Å; A624-V633 HydrophobicContact CB-CB 4.48Å; A624-V633 HydrophobicContact CB-CG2 3.67Å
625	P	89.1	Confident	89	Confident	14 Å²	14	36.7 Å²	36.7	9%	0.091	21%	0.207	C	C	.	.			trans	-66.7	153.9	162.7	31.8	-33.3	0	0	0	109.5	F461 C627 Q628	F461-P625 HydrophobicContact CD1-CB 3.82Å; F461-P625 HydrophobicContact CD1-CG 4.32Å; F461-P625 HydrophobicContact CE1-CB 4.08Å; F461-P625 HydrophobicContact CE1-CG 4.06Å; F461-P625 HydrophobicContact CG-CB 4.26Å; P625-C627 PolarHBondContact O-N 3.41Å; P625-Q628 HydrophobicContact CG-CB 3.95Å; P625-Q628 PolarHBondContact O-N 3.28Å; P625-Q628 VanDerWaalsContact O-N 3.09Å; P625-Q628 VanDerWaalsContact O-O 3.13Å
626	P	87.4	Confident	89.1	Confident	52 Å²	52	37.8 Å²	37.8	34%	0.338	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7	-175.4	26.5	-33.3	0	0	0	114.5	S454 K457 H458	S454-P626 VanDerWaalsContact O-CG 3.24Å; S454-P626 WeakPolarHBondContact O-CG 3.38Å; K457-P626 HydrophobicContact CB-CG 4.3Å; H458-P626 HydrophobicContact CB-CG 3.73Å
627	C	87.1	Confident	89.2	Confident	30 Å²	30	37.8 Å²	37.8	20%	0.203	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-0.6	177.2	60.6	0	0	0	0	113.8	C63 H458 P625	C63-C627 WeakPolarHBondContact SG-CB 3.29Å; C63-C627 VanDerWaalsContact SG-SG 3.62Å; H458-C627 VanDerWaalsContact CD2-SG 3.51Å; H458-C627 PolarHBondContact NE2-SG 2.93Å; H458-C627 VanDerWaalsContact NE2-SG 3.36Å; P625-C627 PolarHBondContact O-N 3.41Å
628	Q	87.6	Confident	89.3	Confident	67 Å²	67	37.7 Å²	37.7	31%	0.313	22%	0.215	S	C	.	.	S	Bend	trans	-126.3	144.1	179.4	-167.9	178	5.5	0	0	109.1	P625 Q632 V633	P625-Q628 HydrophobicContact CG-CB 3.95Å; P625-Q628 PolarHBondContact O-N 3.28Å; P625-Q628 VanDerWaalsContact O-N 3.09Å; P625-Q628 VanDerWaalsContact O-O 3.13Å; Q628-Q632 HydrophobicContact CG-CB 4.08Å; Q628-Q632 VanDerWaalsContact CG-OE1 3.3Å; Q628-V633 HydrophobicContact CG-CG2 3.98Å
629	T	87.6	Confident	89.4	Confident	71 Å²	71	37.1 Å²	37.1	44%	0.436	21%	0.211	S	C	.	.			trans	-77.2	149.4	176	69.7	0	0	0	0	110.5	Y631 Q632 V633	T629-Y631 VanDerWaalsContact C-N 3.26Å; T629-Y631 PolarHBondContact O-N 3.01Å; T629-Q632 PolarHBondContact O-N 3.15Å; T629-Q632 VanDerWaalsContact OG1-CD 3.3Å; T629-Q632 WeakPolarHBondContact OG1-CG 3.16Å; T629-Q632 PolarHBondContact OG1-N 3.41Å; T629-V633 PolarHBondContact O-N 3.46Å
630	I	88.6	Confident	89.5	Confident	39 Å²	39	40 Å²	40	20%	0.2	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-40.4	177	-67.4	169.2	0	0	0	110	A624 Q632 V633 L634	A624-I630 HydrophobicContact CB-CG1 4.26Å; I630-Q632 VanDerWaalsContact C-N 3.31Å; I630-Q632 PolarHBondContact O-N 3.05Å; I630-V633 PolarHBondContact O-N 3.11Å; I630-V633 VanDerWaalsContact O-N 3.12Å; I630-L634 HydrophobicContact CG2-CD1 3.69Å; I630-L634 HydrophobicContact CG2-CG 4.05Å; I630-L634 WeakPolarHBondContact O-CG 3.39Å; I630-L634 PolarHBondContact O-N 3.21Å
631	Y	89.8	Confident	89.5	Confident	69 Å²	69	39.8 Å²	39.8	27%	0.271	22%	0.22	S	C	.	.	H	α-helix	trans	-54.4	-42.4	176	-68.1	-86.7	0	0	0	113	F430 I607 H608 A611 T629 L634 N635	F430-Y631 VanDerWaalsContact CE2-OH 3.29Å; F430-Y631 WeakPolarHBondContact CE2-OH 3.47Å; F430-Y631 WeakPolarHBondContact CZ-OH 3.33Å; I607-Y631 HydrophobicContact CG2-CD1 3.43Å; I607-Y631 VanDerWaalsContact CG2-CD1 3.43Å; I607-Y631 HydrophobicContact CG2-CE1 4.03Å; I607-Y631 HydrophobicContact CG2-CG 4.41Å; H608-Y631 AromaticContact CE1-CE1 3.88Å; H608-Y631 AromaticContact ND1-CE1 3.77Å; H608-Y631 PolarHBondContact ND1-OH 2.69Å; A611-Y631 HydrophobicContact CB-CE1 3.95Å; A611-Y631 HydrophobicContact CB-CE2 4.47Å; T629-Y631 VanDerWaalsContact C-N 3.26Å; T629-Y631 PolarHBondContact O-N 3.01Å; Y631-L634 PolarHBondContact O-N 2.96Å; Y631-N635 WeakPolarHBondContact O-CB 3.25Å; Y631-N635 PolarHBondContact O-N 2.74Å; Y631-N635 PolarHBondContact O-ND2 2.63Å
632	Q	90.4	Very high	89.7	Confident	100 Å²	100	40.9 Å²	40.9	47%	0.467	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-47.3	175.5	-75.5	166.5	-5.4	0	0	111.6	Q628 T629 I630 L634 N635 D636	Q628-Q632 HydrophobicContact CG-CB 4.08Å; Q628-Q632 VanDerWaalsContact CG-OE1 3.3Å; T629-Q632 PolarHBondContact O-N 3.15Å; T629-Q632 VanDerWaalsContact OG1-CD 3.3Å; T629-Q632 WeakPolarHBondContact OG1-CG 3.16Å; T629-Q632 PolarHBondContact OG1-N 3.41Å; I630-Q632 VanDerWaalsContact C-N 3.31Å; I630-Q632 PolarHBondContact O-N 3.05Å; Q632-L634 VanDerWaalsContact C-N 3.28Å; Q632-L634 PolarHBondContact O-N 2.79Å; Q632-N635 PolarHBondContact O-N 2.99Å; Q632-D636 VanDerWaalsContact O-CG 3.27Å; Q632-D636 PolarHBondContact O-N 3.12Å
633	V	91.6	Very high	89.7	Confident	14 Å²	14	43.7 Å²	43.7	9%	0.085	23%	0.228	C	C	.	.	H	α-helix	trans	-62.6	-36.7	179.7	177.1	0	0	0	0	112.1	P570 V623 A624 Q628 T629 I630 A637	P570-V633 HydrophobicContact CB-CG1 4.12Å; P570-V633 HydrophobicContact CG-CG1 3.95Å; V623-V633 HydrophobicContact CG1-CG1 4.12Å; A624-V633 HydrophobicContact CB-CB 4.48Å; A624-V633 HydrophobicContact CB-CG2 3.67Å; Q628-V633 HydrophobicContact CG-CG2 3.98Å; T629-V633 PolarHBondContact O-N 3.46Å; I630-V633 PolarHBondContact O-N 3.11Å; I630-V633 VanDerWaalsContact O-N 3.12Å; V633-A637 PolarHBondContact O-N 3.25Å
634	L	93.9	Very high	89.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-72.1	-40.5	177.5	-67	175.7	0	0	0	111.9	I573 I574 I607 A610 A611 I630 Y631 Q632 D636 A637 V638	I573-L634 HydrophobicContact CG2-CD2 4.17Å; I574-L634 HydrophobicContact CD1-CB 4.33Å; I574-L634 HydrophobicContact CD1-CD2 4.11Å; I574-L634 HydrophobicContact CG1-CD2 4.42Å; I607-L634 HydrophobicContact CD1-CB 3.65Å; I607-L634 HydrophobicContact CG2-CB 4.47Å; A610-L634 HydrophobicContact CB-CD1 3.75Å; A610-L634 HydrophobicContact CB-CD2 4.1Å; A610-L634 HydrophobicContact CB-CG 4.47Å; A611-L634 HydrophobicContact CB-CD1 4.14Å; I630-L634 HydrophobicContact CG2-CD1 3.69Å; I630-L634 HydrophobicContact CG2-CG 4.05Å; I630-L634 WeakPolarHBondContact O-CG 3.39Å; I630-L634 PolarHBondContact O-N 3.21Å; Y631-L634 PolarHBondContact O-N 2.96Å; Q632-L634 VanDerWaalsContact C-N 3.28Å; Q632-L634 PolarHBondContact O-N 2.79Å; L634-D636 VanDerWaalsContact C-N 3.34Å; L634-A637 WeakPolarHBondContact O-CA 3.32Å; L634-A637 WeakPolarHBondContact O-CB 3.42Å; L634-A637 PolarHBondContact O-N 2.8Å; L634-A637 VanDerWaalsContact O-N 3.08Å; L634-V638 PolarHBondContact O-N 3.14Å
635	N	92.8	Very high	88.9	Confident	55 Å²	55	44.5 Å²	44.5	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-63	-40.7	173	-83.7	-62.1	0	0	0	111.9	Q603 Y631 Q632 A637 V638 T639	Q603-N635 PolarHBondContact NE2-OD1 3.19Å; Y631-N635 WeakPolarHBondContact O-CB 3.25Å; Y631-N635 PolarHBondContact O-N 2.74Å; Y631-N635 PolarHBondContact O-ND2 2.63Å; Q632-N635 PolarHBondContact O-N 2.99Å; N635-A637 PolarHBondContact O-N 3.08Å; N635-V638 PolarHBondContact O-N 3.4Å; N635-T639 WeakPolarHBondContact O-CB 3.19Å; N635-T639 PolarHBondContact O-N 3.4Å; N635-T639 PolarHBondContact O-OG1 3.15Å
636	D	91.9	Very high	88.8	Confident	78 Å²	78	43.9 Å²	43.9	42%	0.417	23%	0.231	S	C	.	.	H	α-helix	trans	-60.6	-36.5	172.2	-67.7	-20.8	0	0	0	111	Q632 L634 R640	Q632-D636 VanDerWaalsContact O-CG 3.27Å; Q632-D636 PolarHBondContact O-N 3.12Å; L634-D636 VanDerWaalsContact C-N 3.34Å; D636-R640 WeakPolarHBondContact O-CG 3.49Å; D636-R640 PolarHBondContact O-N 3.39Å; D636-R640 PolarHBondContact O-NH1 2.96Å
637	A	92.8	Very high	88.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-44.9	177.1	0	0	0	0	0	112.7	P570 I574 V633 L634 N635 T639 R640 L641	P570-A637 HydrophobicContact CB-CB 3.76Å; I574-A637 HydrophobicContact CG1-CB 4.09Å; V633-A637 PolarHBondContact O-N 3.25Å; L634-A637 WeakPolarHBondContact O-CA 3.32Å; L634-A637 WeakPolarHBondContact O-CB 3.42Å; L634-A637 PolarHBondContact O-N 2.8Å; L634-A637 VanDerWaalsContact O-N 3.08Å; N635-A637 PolarHBondContact O-N 3.08Å; A637-T639 VanDerWaalsContact C-N 3.33Å; A637-T639 PolarHBondContact O-N 3.1Å; A637-R640 VanDerWaalsContact CB-NH2 3.31Å; A637-R640 PolarHBondContact O-N 2.64Å; A637-L641 WeakPolarHBondContact O-CG 3.07Å; A637-L641 PolarHBondContact O-N 3.27Å
638	V	92.8	Very high	88.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-46.5	173.4	173.1	0	0	0	0	110.1	I574 Q603 L606 I607 L634 N635 R640 L641 I642 L647	I574-V638 HydrophobicContact CD1-CG2 3.74Å; I574-V638 HydrophobicContact CG1-CG2 4.22Å; I574-V638 HydrophobicContact CG2-CG2 4.31Å; Q603-V638 HydrophobicContact CG-CG1 4.48Å; L606-V638 HydrophobicContact CD2-CG2 4.14Å; I607-V638 HydrophobicContact CD1-CG2 3.82Å; L634-V638 PolarHBondContact O-N 3.14Å; N635-V638 PolarHBondContact O-N 3.4Å; V638-R640 VanDerWaalsContact C-N 3.34Å; V638-R640 PolarHBondContact O-N 3.19Å; V638-L641 PolarHBondContact O-N 3.16Å; V638-L641 VanDerWaalsContact O-N 3.11Å; V638-I642 HydrophobicContact CG1-CD1 3.84Å; V638-I642 HydrophobicContact CG1-CG1 4.41Å; V638-I642 WeakPolarHBondContact O-CG1 3.41Å; V638-I642 PolarHBondContact O-N 3.3Å; V638-L647 HydrophobicContact CG1-CD1 4.3Å
639	T	91.2	Very high	88.4	Confident	61 Å²	61	43.8 Å²	43.8	37%	0.374	22%	0.221	S	C	.	.	H	α-helix	trans	-59.3	-43.3	178	-56.5	0	0	0	0	111.8	N635 A637 I642 Q643	N635-T639 WeakPolarHBondContact O-CB 3.19Å; N635-T639 PolarHBondContact O-N 3.4Å; N635-T639 PolarHBondContact O-OG1 3.15Å; A637-T639 VanDerWaalsContact C-N 3.33Å; A637-T639 PolarHBondContact O-N 3.1Å; T639-I642 PolarHBondContact O-N 3.04Å; T639-Q643 VanDerWaalsContact O-CG 3.3Å; T639-Q643 WeakPolarHBondContact O-CG 3.46Å; T639-Q643 PolarHBondContact O-N 2.82Å
640	R	89	Confident	87.9	Confident	72 Å²	72	40.8 Å²	40.8	27%	0.272	20%	0.204	S	C	.	.	H	α-helix	trans	-61.2	-44.6	173.8	-76.7	-171.2	-53.7	-85	2.4	112.2	D571 D636 A637 V638 I642 Q643 C644	D571-R640 IonicContact OD1-CZ 3.93Å; D571-R640 IonicContact OD1-NE 3.89Å; D571-R640 IonicContact OD1-NH2 2.95Å; D571-R640 PolarHBondContact OD1-NH2 3.08Å; D636-R640 WeakPolarHBondContact O-CG 3.49Å; D636-R640 PolarHBondContact O-N 3.39Å; D636-R640 PolarHBondContact O-NH1 2.96Å; A637-R640 VanDerWaalsContact CB-NH2 3.31Å; A637-R640 PolarHBondContact O-N 2.64Å; V638-R640 VanDerWaalsContact C-N 3.34Å; V638-R640 PolarHBondContact O-N 3.19Å; R640-I642 VanDerWaalsContact C-N 3.28Å; R640-I642 PolarHBondContact O-N 3.46Å; R640-Q643 PolarHBondContact O-N 3.32Å; R640-C644 WeakPolarHBondContact O-CB 2.91Å; R640-C644 PolarHBondContact O-N 3.09Å; R640-C644 PolarHBondContact O-SG 2.76Å
641	L	89.6	Confident	86.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-32.3	178.6	-69.9	173.4	0	0	0	112.3	I574 A637 V638 G645 V646 L647 F707 L711	I574-L641 HydrophobicContact CB-CD1 4.18Å; I574-L641 HydrophobicContact CG2-CD1 3.72Å; A637-L641 WeakPolarHBondContact O-CG 3.07Å; A637-L641 PolarHBondContact O-N 3.27Å; V638-L641 PolarHBondContact O-N 3.16Å; V638-L641 VanDerWaalsContact O-N 3.11Å; L641-G645 PolarHBondContact O-N 3.46Å; L641-V646 HydrophobicContact CD2-CB 4.47Å; L641-V646 HydrophobicContact CD2-CG1 4.23Å; L641-V646 WeakPolarHBondContact O-CB 3.38Å; L641-V646 PolarHBondContact O-N 3.14Å; L641-L647 HydrophobicContact CB-CD1 3.73Å; L641-L647 HydrophobicContact CB-CG 3.96Å; L641-L647 HydrophobicContact CD1-CD1 4.15Å; L641-L647 PolarHBondContact O-N 3.4Å; L641-L647 VanDerWaalsContact O-N 3.13Å; L641-F707 HydrophobicContact CD2-CE1 4.21Å; L641-L711 HydrophobicContact CD2-CD1 4.34Å
642	I	88.6	Confident	85	Confident	44 Å²	44	51.4 Å²	51.4	23%	0.226	26%	0.255	C	S	.	.	H	α-helix	trans	-66.7	-47.8	171.1	-66.3	166.7	0	0	0	110.5	V638 T639 R640 C644 G645 L647 V649 V696	V638-I642 HydrophobicContact CG1-CD1 3.84Å; V638-I642 HydrophobicContact CG1-CG1 4.41Å; V638-I642 WeakPolarHBondContact O-CG1 3.41Å; V638-I642 PolarHBondContact O-N 3.3Å; T639-I642 PolarHBondContact O-N 3.04Å; R640-I642 VanDerWaalsContact C-N 3.28Å; R640-I642 PolarHBondContact O-N 3.46Å; I642-C644 PolarHBondContact O-N 3.26Å; I642-G645 PolarHBondContact O-N 3.06Å; I642-L647 WeakPolarHBondContact CA-O 3.49Å; I642-L647 HydrophobicContact CG1-CB 3.76Å; I642-V649 HydrophobicContact CD1-CG2 4.09Å; I642-V649 HydrophobicContact CG2-CG2 4.47Å; I642-V696 HydrophobicContact CD1-CG1 4.4Å
643	Q	84.9	Confident	83.2	Confident	121 Å²	121	49.4 Å²	49.4	57%	0.565	25%	0.247	S	C	*	.	H	α-helix	trans	-61	-32.7	177.3	-72.2	172.1	-4	0	0	112.9	T639 R640 G645	T639-Q643 VanDerWaalsContact O-CG 3.3Å; T639-Q643 WeakPolarHBondContact O-CG 3.46Å; T639-Q643 PolarHBondContact O-N 2.82Å; R640-Q643 PolarHBondContact O-N 3.32Å; Q643-G645 PolarHBondContact O-N 2.96Å
644	C	79.6	Confident	81.2	Confident	30 Å²	30	51.3 Å²	51.3	20%	0.203	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.9	173.3	-73.3	0	0	0	0	113.8	C40 R640 I642 V646	C40-C644 WeakPolarHBondContact SG-CA 3.14Å; C40-C644 WeakPolarHBondContact SG-CB 3.33Å; C40-C644 PolarHBondContact SG-O 2.99Å; R640-C644 WeakPolarHBondContact O-CB 2.91Å; R640-C644 PolarHBondContact O-N 3.09Å; R640-C644 PolarHBondContact O-SG 2.76Å; I642-C644 PolarHBondContact O-N 3.26Å; C644-V646 HydrophobicContact CB-CB 4.38Å; C644-V646 HydrophobicContact CB-CG2 3.88Å; C644-V646 PolarHBondContact O-N 2.82Å
645	G	81.5	Confident	79	Confident	17 Å²	17	59.6 Å²	59.6	18%	0.175	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	12	-174.1	0	0	0	0	0	113.9	L641 I642 Q643 Y648 H704	L641-G645 PolarHBondContact O-N 3.46Å; I642-G645 PolarHBondContact O-N 3.06Å; Q643-G645 PolarHBondContact O-N 2.96Å; G645-Y648 VanDerWaalsContact O-CZ 3.24Å; G645-Y648 PolarHBondContact O-OH 3.28Å; G645-Y648 VanDerWaalsContact O-OH 3.08Å; G645-H704 PolarHBondContact O-CE1 2.73Å; G645-H704 PolarHBondContact O-ND1 2.98Å
646	V	85.4	Confident	76.9	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-82.7	-33.2	-179.3	172.1	0	0	0	0	110.3	V36 L641 C644 S699 F707 F708	V36-V646 HydrophobicContact CG1-CG2 3.97Å; L641-V646 HydrophobicContact CD2-CB 4.47Å; L641-V646 HydrophobicContact CD2-CG1 4.23Å; L641-V646 WeakPolarHBondContact O-CB 3.38Å; L641-V646 PolarHBondContact O-N 3.14Å; C644-V646 HydrophobicContact CB-CB 4.38Å; C644-V646 HydrophobicContact CB-CG2 3.88Å; C644-V646 PolarHBondContact O-N 2.82Å; V646-S699 WeakPolarHBondContact O-CB 3.27Å; V646-S699 PolarHBondContact O-N 3.1Å; V646-F707 HydrophobicContact CG2-CD1 4.15Å; V646-F708 HydrophobicContact CB-CE2 4.38Å; V646-F708 HydrophobicContact CG1-CD2 3.48Å; V646-F708 VanDerWaalsContact CG1-CD2 3.48Å; V646-F708 HydrophobicContact CG1-CE2 2.98Å; V646-F708 HydrophobicContact CG1-CG 4.47Å; V646-F708 HydrophobicContact CG1-CZ 3.61Å
647	L	86.9	Confident	74.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.4	169.2	-65.9	178.5	0	0	0	110.3	I578 V638 L641 I642 K697 V698 F708	I578-L647 HydrophobicContact CD1-CD2 4Å; V638-L647 HydrophobicContact CG1-CD1 4.3Å; L641-L647 HydrophobicContact CB-CD1 3.73Å; L641-L647 HydrophobicContact CB-CG 3.96Å; L641-L647 HydrophobicContact CD1-CD1 4.15Å; L641-L647 PolarHBondContact O-N 3.4Å; L641-L647 VanDerWaalsContact O-N 3.13Å; I642-L647 WeakPolarHBondContact CA-O 3.49Å; I642-L647 HydrophobicContact CG1-CB 3.76Å; L647-K697 CarbonylContact C-O 3.52Å; L647-K697 WeakPolarHBondContact CA-O 3.32Å; L647-V698 HydrophobicContact CD2-CG2 3.93Å; L647-F708 HydrophobicContact CD2-CE2 4.24Å; L647-F708 HydrophobicContact CD2-CZ 3.8Å; L647-F708 HydrophobicContact CG-CZ 4.27Å
648	Y	85.4	Confident	72.6	Confident	114 Å²	114	69.6 Å²	69.6	45%	0.447	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.3	174	-59	-76.2	0	0	0	110.5	G645 V696 K697	G645-Y648 VanDerWaalsContact O-CZ 3.24Å; G645-Y648 PolarHBondContact O-OH 3.28Å; G645-Y648 VanDerWaalsContact O-OH 3.08Å; Y648-V696 CarbonylContact O-C 3.58Å; Y648-V696 VanDerWaalsContact O-CA 3.25Å; Y648-V696 WeakPolarHBondContact O-CA 3.27Å; Y648-K697 PolarHBondContact N-O 3.19Å; Y648-K697 PolarHBondContact O-N 3.47Å
649	V	83.2	Confident	70	Confident	33 Å²	33	74 Å²	74	20%	0.2	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.7	169.5	-178.2	0	0	0	0	107.4	I642 E651	I642-V649 HydrophobicContact CD1-CG2 4.09Å; I642-V649 HydrophobicContact CG2-CG2 4.47Å; V649-E651 PolarHBondContact O-N 3.36Å
650	A	76.5	Confident	67.6	Low	9 Å²	9	74.8 Å²	74.8	7%	0.074	38%	0.379	C	S	.	.			trans	-80.8	101.7	176.6	0	0	0	0	0	108.7	L600 Q654 Y695 K697	L600-A650 HydrophobicContact CD1-CB 3.44Å; L600-A650 VanDerWaalsContact CD1-CB 3.44Å; A650-Q654 VanDerWaalsContact O-CG 3.31Å; A650-Q654 WeakPolarHBondContact O-CG 3.45Å; A650-Q654 PolarHBondContact O-NE2 3.16Å; A650-Y695 PolarHBondContact N-O 2.81Å; A650-K697 HydrophobicContact CB-CD 4.11Å; A650-K697 HydrophobicContact CB-CG 4.26Å
651	E	64.6	Low	65.3	Low	152 Å²	152	77.9 Å²	77.9	71%	0.71	41%	0.408	S	S	*	.			trans	-82.7	-39.4	-178.6	-67	177.5	175.8	0	0	112.1	V649 D653 Q654	V649-E651 PolarHBondContact O-N 3.36Å; E651-D653 PolarHBondContact O-N 2.64Å; E651-Q654 PolarHBondContact O-N 2.79Å
652	E	53.5	Low	62.9	Low	179 Å²	179	82.8 Å²	82.8	84%	0.836	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.5	-175.3	-64.7	176.8	170.2	0	0	114
653	D	50.8	Low	60.5	Low	57 Å²	57	89.8 Å²	89.8	31%	0.305	47%	0.47	S	S	.	.	H	α-helix	trans	-85.7	-9.3	-179.8	-58.5	-42.2	0	0	0	112.9	L600 E651 M657 K697	L600-D653 HydrophobicContact CD1-CB 4.22Å; E651-D653 PolarHBondContact O-N 2.64Å; D653-M657 PolarHBondContact O-N 3.43Å; D653-K697 VanDerWaalsContact OD2-CE 3.3Å; D653-K697 WeakPolarHBondContact OD2-CE 3.27Å; D653-K697 IonicContact OD2-NZ 3.85Å; D653-K697 PolarHBondContact OD2-NZ 3.05Å
654	Q	50.5	Low	58.1	Low	55 Å²	55	91.8 Å²	91.8	26%	0.257	48%	0.479	S	S	.	.	H	α-helix	trans	-73.9	-27.2	-179.5	-79	174.3	38.6	0	0	112.4	A650 E651 N658	A650-Q654 VanDerWaalsContact O-CG 3.31Å; A650-Q654 WeakPolarHBondContact O-CG 3.45Å; A650-Q654 PolarHBondContact O-NE2 3.16Å; E651-Q654 PolarHBondContact O-N 2.79Å; Q654-N658 WeakPolarHBondContact O-CB 3.32Å; Q654-N658 PolarHBondContact O-N 3.48Å; Q654-N658 PolarHBondContact O-ND2 3.36Å
655	E	48.3	Very low	55.9	Low	174 Å²	174	96.3 Å²	96.3	81%	0.813	51%	0.508	S	S	*	.	H	α-helix	trans	-78.3	-33.9	179.3	-66.2	-174	172.3	0	0	112.2
656	E	48.4	Very low	53.6	Low	161 Å²	161	106.1 Å²	106.1	75%	0.752	54%	0.54	S	S	*	.	H	α-helix	trans	-79.1	-31.3	178.1	-70.1	-168.5	167.4	0	0	113.3	S659	E656-S659 PolarHBondContact O-OG 2.84Å
657	M	47.4	Very low	51.2	Low	115 Å²	115	111.9 Å²	111.9	57%	0.567	58%	0.578	S	S	*	*	H	α-helix	trans	-88.5	-20.2	-176.7	-131.1	-168.3	160.2	0	0	114	L600 D653 S659 Y695	L600-M657 HydrophobicContact CD2-SD 4.18Å; D653-M657 PolarHBondContact O-N 3.43Å; M657-S659 VanDerWaalsContact C-N 3.31Å; M657-Y695 HydrophobicContact SD-CE1 4.41Å; M657-Y695 HydrophobicContact SD-CE2 4.29Å
658	N	46.4	Very low	48.9	Very low	67 Å²	67	122 Å²	122	36%	0.358	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.8	9.6	178	-69.7	-30	0	0	0	113.4	Q654 S660	Q654-N658 WeakPolarHBondContact O-CB 3.32Å; Q654-N658 PolarHBondContact O-N 3.48Å; Q654-N658 PolarHBondContact O-ND2 3.36Å; N658-S660 PolarHBondContact O-N 3.19Å
659	S	38.7	Very low	46.5	Very low	92 Å²	92	125.9 Å²	125.9	64%	0.643	64%	0.641	S	S	*	*			trans	-70.8	111.4	171.2	63.8	0	0	0	0	110	E656 M657	E656-S659 PolarHBondContact O-OG 2.84Å; M657-S659 VanDerWaalsContact C-N 3.31Å
660	S	39.7	Very low	44.2	Very low	78 Å²	78	134.3 Å²	134.3	55%	0.545	68%	0.675	S	S	.	*			trans	-64.7	153.5	-178.8	54.8	0	0	0	0	113.5	N658 T662	N658-S660 PolarHBondContact O-N 3.19Å; S660-T662 WeakPolarHBondContact CB-OG1 3.34Å; S660-T662 PolarHBondContact O-N 2.92Å; S660-T662 PolarHBondContact OG-OG1 3.46Å
661	P	41.1	Very low	42	Very low	136 Å²	136	139.3 Å²	139.3	88%	0.883	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	54.3	172.7	34.9	-34	0	0	0	111.6
662	T	39.4	Very low	40.5	Very low	104 Å²	104	141.3 Å²	141.3	64%	0.638	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	3.5	178.9	21.8	0	0	0	0	115	S660 E664	S660-T662 WeakPolarHBondContact CB-OG1 3.34Å; S660-T662 PolarHBondContact O-N 2.92Å; S660-T662 PolarHBondContact OG-OG1 3.46Å; T662-E664 VanDerWaalsContact C-N 3.33Å; T662-E664 PolarHBondContact O-N 3.06Å
663	E	38.4	Very low	40.1	Very low	192 Å²	192	138 Å²	138	90%	0.897	71%	0.713	S	S	*	*			trans	-94.6	54	168.4	-66.2	-159.9	162.2	0	0	112.3
664	E	34	Very low	39.3	Very low	163 Å²	163	143.1 Å²	143.1	76%	0.762	74%	0.739	S	S	*	*			trans	-90	126.4	151.9	-81.1	-164.4	161.4	0	0	108.4	T662 W666	T662-E664 VanDerWaalsContact C-N 3.33Å; T662-E664 PolarHBondContact O-N 3.06Å; E664-W666 PolarHBondContact O-N 3.33Å
665	P	34.3	Very low	38.7	Very low	125 Å²	125	145.4 Å²	145.4	81%	0.812	76%	0.761	S	S	*	*			trans	-70.3	100.9	177.5	27.4	-29.8	0	0	0	108.6
666	W	33.5	Very low	38.2	Very low	223 Å²	223	147.9 Å²	147.9	85%	0.845	76%	0.764	S	S	*	*			trans	-46.5	128.6	173	-72.9	84	0	0	0	110.8	E664 K668	E664-W666 PolarHBondContact O-N 3.33Å; W666-K668 PolarHBondContact O-N 3.28Å; W666-K668 VanDerWaalsContact O-N 3.16Å
667	P	34	Very low	37.4	Very low	121 Å²	121	150.8 Å²	150.8	79%	0.786	77%	0.768	S	S	*	*			trans	-65.5	120.6	176.6	15.9	-17.5	0	0	0	109.8	K669	P667-K669 PolarHBondContact O-N 2.96Å
668	K	39.6	Very low	37.1	Very low	212 Å²	212	150 Å²	150	92%	0.922	77%	0.773	S	S	*	*	S	Bend	trans	-56.7	99.1	173.5	-71.7	178.9	178	176.9	0	110.7	W666	W666-K668 PolarHBondContact O-N 3.28Å; W666-K668 VanDerWaalsContact O-N 3.16Å
669	K	34.8	Very low	36.6	Very low	196 Å²	196	154.4 Å²	154.4	85%	0.852	80%	0.797	S	S	*	*			trans	-164.4	98.7	152.9	-109.3	174.1	-174.7	-177.8	0	109.2	P667	P667-K669 PolarHBondContact O-N 2.96Å
670	F	35	Very low	36.8	Very low	209 Å²	209	158.2 Å²	158.2	92%	0.917	81%	0.805	S	S	*	*			trans	-111.8	138	154.2	-80.2	-76.3	0	0	0	109
671	S	30	Very low	37	Very low	115 Å²	115	163.4 Å²	163.4	80%	0.804	82%	0.82	S	S	*	*			trans	-96.8	115.3	163.7	48.4	0	0	0	0	109
672	E	33.3	Very low	36.9	Very low	194 Å²	194	164.8 Å²	164.8	91%	0.907	82%	0.82	S	S	*	*			trans	47.5	153.3	155.9	-82	-169.5	156.7	0	0	122.8
673	P	45.2	Very low	37.2	Very low	110 Å²	110	168.9 Å²	168.9	71%	0.714	83%	0.832	S	S	*	*			trans	-104.1	139.6	-146.4	37.5	-28.8	0	0	0	112.6
674	L	33.1	Very low	37.4	Very low	163 Å²	163	167.6 Å²	167.6	85%	0.853	83%	0.831	S	S	*	*			trans	-120.3	105.1	158.7	-79.3	167.4	0	0	0	108.6
675	S	38.8	Very low	37.6	Very low	103 Å²	103	164.2 Å²	164.2	72%	0.72	83%	0.826	S	S	*	*			trans	-62.9	126.4	170.8	61.7	0	0	0	0	110.2
676	W	36.3	Very low	37.9	Very low	227 Å²	227	166 Å²	166	86%	0.86	83%	0.828	S	S	*	*			trans	-130.5	141.2	150.9	-73.8	99.7	0	0	0	109.4
677	R	33.6	Very low	38.3	Very low	222 Å²	222	164.8 Å²	164.8	84%	0.838	83%	0.829	S	S	*	*			trans	-71.6	147.2	-154.8	-69.9	170.2	166.7	-165.4	-4.9	111.9	D679	R677-D679 PolarHBondContact O-N 3.46Å
678	S	39.5	Very low	38.6	Very low	97 Å²	97	162.1 Å²	162.1	68%	0.678	82%	0.824	S	S	*	*			trans	-63.4	118.2	160.4	64.8	0	0	0	0	108.8
679	D	37	Very low	38.6	Very low	161 Å²	161	160.7 Å²	160.7	86%	0.861	82%	0.82	S	S	*	*			trans	-111.3	103	145.8	-70.8	-24.9	0	0	0	104.6	R677	R677-D679 PolarHBondContact O-N 3.46Å
680	E	43.4	Very low	39	Very low	172 Å²	172	159.6 Å²	159.6	80%	0.804	82%	0.818	S	S	*	*			trans	-76.6	122.3	164.7	-61	-122.3	163.2	0	0	106.6
681	E	43.8	Very low	39.7	Very low	187 Å²	187	159 Å²	159	87%	0.874	82%	0.818	S	S	*	*			trans	165.8	84.4	150	-93	171.5	-150	0	0	107.7
682	D	37.8	Very low	41	Very low	164 Å²	164	162.5 Å²	162.5	88%	0.877	81%	0.814	S	S	*	*			trans	-149.8	61.9	157.6	-87.7	-30.7	0	0	0	107.4	D684	D682-D684 VanDerWaalsContact C-N 3.26Å; D682-D684 PolarHBondContact O-N 3.15Å
683	E	46.2	Very low	42.7	Very low	190 Å²	190	155.1 Å²	155.1	89%	0.888	78%	0.781	S	S	*	*			trans	-73	89.6	152.4	-77.6	-171.5	167	0	0	106.5
684	D	42.1	Very low	44.5	Very low	165 Å²	165	156 Å²	156	88%	0.882	77%	0.77	S	S	*	*			trans	167.5	67.1	152.6	-83.6	-19	0	0	0	109.6	D682	D682-D684 VanDerWaalsContact C-N 3.26Å; D682-D684 PolarHBondContact O-N 3.15Å
685	S	38	Very low	46.9	Very low	92 Å²	92	150.5 Å²	150.5	64%	0.643	74%	0.738	S	S	*	*			trans	-134	74.4	161.2	177.3	0	0	0	0	109.3	F687	S685-F687 PolarHBondContact O-N 2.92Å
686	D	40.8	Very low	49.2	Very low	162 Å²	162	145.6 Å²	145.6	87%	0.866	70%	0.704	S	S	*	*			trans	-72.5	23.3	161.6	-140.1	16	0	0	0	111.5	G688	D686-G688 PolarHBondContact O-N 3.28Å
687	F	42.9	Very low	51.6	Low	198 Å²	198	137.9 Å²	137.9	87%	0.868	68%	0.676	S	S	*	*			trans	-87.5	88.3	168.1	-96.4	-88.5	0	0	0	108.4	S685	S685-F687 PolarHBondContact O-N 2.92Å
688	G	40.7	Very low	54.1	Low	65 Å²	65	127.9 Å²	127.9	67%	0.67	64%	0.64	S	S	*	*			trans	149.4	35.3	167.1	0	0	0	0	0	117.4	D686 E690	D686-G688 PolarHBondContact O-N 3.28Å; G688-E690 PolarHBondContact O-N 3.44Å
689	E	39	Very low	56.3	Low	182 Å²	182	123.5 Å²	123.5	85%	0.85	61%	0.609	S	S	*	*			trans	-68.8	89.6	147.2	-77.6	-165.4	166.3	0	0	106.7	Q691	E689-Q691 PolarHBondContact O-N 3.17Å
690	E	42.9	Very low	58.5	Low	173 Å²	173	121.4 Å²	121.4	81%	0.808	60%	0.597	S	S	*	*			trans	-45.7	115.2	163	-73.9	-179.8	163	0	0	107.1	G688 R692	G688-E690 PolarHBondContact O-N 3.44Å; E690-R692 VanDerWaalsContact C-N 3.27Å; E690-R692 PolarHBondContact O-N 3.05Å
691	Q	49.5	Very low	60.5	Low	196 Å²	196	115.3 Å²	115.3	92%	0.916	58%	0.576	S	S	*	*			trans	-65.1	90	-174.4	-142.9	172.3	20.4	0	0	107.7	E689 D693	E689-Q691 PolarHBondContact O-N 3.17Å; Q691-D693 PolarHBondContact O-N 2.92Å; Q691-D693 VanDerWaalsContact O-N 3.16Å
692	R	57.8	Low	62.5	Low	189 Å²	189	110 Å²	110	71%	0.713	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-56.3	124	-177	-67.8	-173.3	-176.2	-175.7	0.7	108.9	E690 R694	E690-R692 VanDerWaalsContact C-N 3.27Å; E690-R692 PolarHBondContact O-N 3.05Å; R692-R694 PolarHBondContact O-N 3.31Å
693	D	68.7	Low	64.5	Low	40 Å²	40	104 Å²	104	21%	0.214	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-60.9	131.2	179.6	-172	13.7	0	0	0	109.7	S602 Q603 E604 Q691	S602-D693 WeakPolarHBondContact CB-OD2 3.17Å; S602-D693 PolarHBondContact OG-OD1 3.25Å; S602-D693 PolarHBondContact OG-OD2 2.97Å; Q603-D693 PolarHBondContact N-OD1 3.38Å; E604-D693 PolarHBondContact N-OD1 3.44Å; Q691-D693 PolarHBondContact O-N 2.92Å; Q691-D693 VanDerWaalsContact O-N 3.16Å
694	R	81.7	Confident	66.3	Low	127 Å²	127	95.5 Å²	95.5	48%	0.479	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-92	128.9	-176.1	-66.7	179.7	71.4	177.7	3.4	108.7	Q603 R692	Q603-R694 HydrophobicContact CB-CB 4.23Å; Q603-R694 WeakPolarHBondContact CB-O 3.46Å; Q603-R694 PolarHBondContact N-O 2.79Å; R692-R694 PolarHBondContact O-N 3.31Å
695	Y	85.3	Confident	68.4	Low	49 Å²	49	90.5 Å²	90.5	19%	0.192	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	133.1	178.4	-72.4	-84.4	0	0	0	112.3	L600 L601 A650 M657	L600-Y695 HydrophobicContact CD1-CG 4.39Å; L600-Y695 HydrophobicContact CD2-CD1 3.25Å; L600-Y695 HydrophobicContact CD2-CD2 4.22Å; L600-Y695 HydrophobicContact CD2-CE1 3.78Å; L600-Y695 HydrophobicContact CD2-CG 3.5Å; L600-Y695 VanDerWaalsContact CD2-CG 3.5Å; L600-Y695 HydrophobicContact CG-CD1 3.58Å; L600-Y695 HydrophobicContact CG-CE1 4.48Å; L600-Y695 HydrophobicContact CG-CG 3.84Å; L601-Y695 CarbonylContact O-C 3.6Å; L601-Y695 WeakPolarHBondContact O-CA 3.31Å; A650-Y695 PolarHBondContact N-O 2.81Å; M657-Y695 HydrophobicContact SD-CE1 4.41Å; M657-Y695 HydrophobicContact SD-CE2 4.29Å
696	V	86.6	Confident	70.8	Confident	0 Å²	0	91.1 Å²	91.1	0%	0	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	144.4	-178.2	-59.8	0	0	0	0	112.2	L601 L606 I642 Y648	L601-V696 HydrophobicContact CB-CG2 3.97Å; L601-V696 WeakPolarHBondContact CB-O 3.37Å; L601-V696 PolarHBondContact N-O 3.39Å; L601-V696 PolarHBondContact O-N 2.96Å; L606-V696 HydrophobicContact CD2-CG2 4.3Å; I642-V696 HydrophobicContact CD1-CG1 4.4Å; Y648-V696 CarbonylContact O-C 3.58Å; Y648-V696 VanDerWaalsContact O-CA 3.25Å; Y648-V696 WeakPolarHBondContact O-CA 3.27Å
697	K	86.6	Confident	73	Confident	65 Å²	65	83.6 Å²	83.6	28%	0.283	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.6	174.1	-69	-179.8	-177.7	174.1	0	110.4	L600 L647 Y648 A650 D653	L600-K697 VanDerWaalsContact CD1-CE 3.46Å; L600-K697 HydrophobicContact CD1-CG 4.33Å; L647-K697 CarbonylContact C-O 3.52Å; L647-K697 WeakPolarHBondContact CA-O 3.32Å; Y648-K697 PolarHBondContact N-O 3.19Å; Y648-K697 PolarHBondContact O-N 3.47Å; A650-K697 HydrophobicContact CB-CD 4.11Å; A650-K697 HydrophobicContact CB-CG 4.26Å; D653-K697 VanDerWaalsContact OD2-CE 3.3Å; D653-K697 WeakPolarHBondContact OD2-CE 3.27Å; D653-K697 IonicContact OD2-NZ 3.85Å; D653-K697 PolarHBondContact OD2-NZ 3.05Å
698	V	85.8	Confident	75.2	Confident	11 Å²	11	74.5 Å²	74.5	7%	0.067	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.2	177.8	179.2	0	0	0	0	110	I578 L601 L647 F708	I578-V698 HydrophobicContact CD1-CG2 4.45Å; I578-V698 HydrophobicContact CG2-CG2 3.87Å; L601-V698 HydrophobicContact CD1-CG2 4.44Å; L647-V698 HydrophobicContact CD2-CG2 3.93Å; V698-F708 HydrophobicContact CG1-CD2 3.93Å; V698-F708 HydrophobicContact CG1-CE2 3.61Å; V698-F708 HydrophobicContact CG1-CZ 4.37Å
699	S	85.5	Confident	77.6	Confident	5 Å²	5	74 Å²	74	4%	0.035	36%	0.357	C	S	.	.			trans	-63.6	136.2	178.5	176.1	0	0	0	0	114	V646 A701 H704 Q705	V646-S699 WeakPolarHBondContact O-CB 3.27Å; V646-S699 PolarHBondContact O-N 3.1Å; S699-A701 PolarHBondContact OG-N 3.47Å; S699-H704 VanDerWaalsContact CB-ND1 3.28Å; S699-H704 WeakPolarHBondContact CB-ND1 3.32Å; S699-H704 PolarHBondContact OG-ND1 3.29Å; S699-Q705 PolarHBondContact O-NE2 3.33Å
700	L	83.9	Confident	80.1	Confident	117 Å²	117	65.6 Å²	65.6	61%	0.613	32%	0.317	S	S	*	.			trans	-79.8	-14.5	176.8	-56.6	-171.8	0	0	0	115.4	S597 A702	S597-L700 VanDerWaalsContact O-CD2 3.32Å; S597-L700 WeakPolarHBondContact O-CD2 3.31Å; S597-L700 WeakPolarHBondContact OG-CD2 3.3Å; L700-A702 PolarHBondContact O-N 2.87Å
701	A	85.3	Confident	82.5	Confident	44 Å²	44	57.3 Å²	57.3	36%	0.364	28%	0.279	S	S	.	.			trans	-55.4	131.5	179.9	0	0	0	0	0	111.4	S699 E703 H704 Q705	S699-A701 PolarHBondContact OG-N 3.47Å; A701-E703 PolarHBondContact O-N 2.91Å; A701-E703 VanDerWaalsContact O-N 3.1Å; A701-H704 HydrophobicContact CB-CB 4.29Å; A701-H704 WeakPolarHBondContact O-CB 3.29Å; A701-H704 PolarHBondContact O-N 3.3Å; A701-Q705 PolarHBondContact O-N 3.34Å; A701-Q705 VanDerWaalsContact O-N 3.08Å
702	A	84.6	Confident	84.6	Confident	75 Å²	75	48.7 Å²	48.7	62%	0.62	24%	0.238	S	C	*	.	H	α-helix	trans	-54.1	-37.1	-175	0	0	0	0	0	112.5	L700 Q705 E706	L700-A702 PolarHBondContact O-N 2.87Å; A702-Q705 WeakPolarHBondContact O-CB 3.36Å; A702-Q705 PolarHBondContact O-N 3.3Å; A702-E706 PolarHBondContact O-N 3.37Å
703	E	80.3	Confident	86.4	Confident	39 Å²	39	43.6 Å²	43.6	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-70.4	-41.8	-179.9	-47.8	172.8	162.9	0	0	110.6	S33 P34 S35 V36 A701 Q705 E706 F707	S33-E703 WeakPolarHBondContact CB-OE1 3.47Å; S33-E703 PolarHBondContact OG-OE1 3.43Å; P34-E703 VanDerWaalsContact C-OE2 3.27Å; P34-E703 VanDerWaalsContact O-CD 3.28Å; S35-E703 WeakPolarHBondContact CA-OE1 3.37Å; S35-E703 WeakPolarHBondContact CA-OE2 3.48Å; S35-E703 PolarHBondContact N-OE1 3.04Å; S35-E703 PolarHBondContact N-OE2 3.02Å; V36-E703 HydrophobicContact CB-CB 4.42Å; V36-E703 HydrophobicContact CG2-CB 3.29Å; V36-E703 WeakPolarHBondContact CG2-O 3.44Å; V36-E703 PolarHBondContact N-OE2 3.16Å; A701-E703 PolarHBondContact O-N 2.91Å; A701-E703 VanDerWaalsContact O-N 3.1Å; E703-Q705 PolarHBondContact O-N 3.2Å; E703-E706 WeakPolarHBondContact O-CB 3.05Å; E703-E706 PolarHBondContact O-N 3.09Å; E703-E706 VanDerWaalsContact O-N 3.14Å; E703-F707 PolarHBondContact O-N 3.1Å
704	H	84.8	Confident	87.5	Confident	11 Å²	11	42 Å²	42	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-37.6	176.7	-66.3	154.8	0	0	0	110.4	V36 G645 S699 A701 F707 F708	V36-H704 WeakPolarHBondContact CG1-CD2 3.45Å; V36-H704 VanDerWaalsContact CG2-CA 3.45Å; V36-H704 HydrophobicContact CG2-CB 4.3Å; V36-H704 WeakPolarHBondContact CG2-CD2 3.02Å; G645-H704 PolarHBondContact O-CE1 2.73Å; G645-H704 PolarHBondContact O-ND1 2.98Å; S699-H704 VanDerWaalsContact CB-ND1 3.28Å; S699-H704 WeakPolarHBondContact CB-ND1 3.32Å; S699-H704 PolarHBondContact OG-ND1 3.29Å; A701-H704 HydrophobicContact CB-CB 4.29Å; A701-H704 WeakPolarHBondContact O-CB 3.29Å; A701-H704 PolarHBondContact O-N 3.3Å; H704-F707 PolarHBondContact O-N 3.02Å; H704-F708 PolarHBondContact O-N 3.3Å
705	Q	86	Confident	88.1	Confident	60 Å²	60	36 Å²	36	28%	0.28	19%	0.188	S	C	.	.	H	α-helix	trans	-65.8	-44	173.2	-65	-64.1	-33.7	0	0	112.4	S699 A701 A702 E703 F707 F708 I709	S699-Q705 PolarHBondContact O-NE2 3.33Å; A701-Q705 PolarHBondContact O-N 3.34Å; A701-Q705 VanDerWaalsContact O-N 3.08Å; A702-Q705 WeakPolarHBondContact O-CB 3.36Å; A702-Q705 PolarHBondContact O-N 3.3Å; E703-Q705 PolarHBondContact O-N 3.2Å; Q705-F707 VanDerWaalsContact C-N 3.3Å; Q705-F707 PolarHBondContact O-N 3.39Å; Q705-F708 PolarHBondContact O-N 3.14Å; Q705-I709 VanDerWaalsContact O-CG1 3.29Å; Q705-I709 WeakPolarHBondContact O-CG1 3.48Å; Q705-I709 PolarHBondContact O-N 3.35Å
706	E	87.3	Confident	88.5	Confident	105 Å²	105	33.6 Å²	33.6	49%	0.491	18%	0.178	S	C	.	.	H	α-helix	trans	-59.2	-41	174.5	-76	-172.4	174.5	0	0	112.6	R482 A702 E703 I709 F710	R482-E706 IonicContact CZ-OE2 3.87Å; R482-E706 IonicContact NH2-OE2 3.78Å; R482-E706 PolarHBondContact NH2-OE2 3.09Å; A702-E706 PolarHBondContact O-N 3.37Å; E703-E706 WeakPolarHBondContact O-CB 3.05Å; E703-E706 PolarHBondContact O-N 3.09Å; E703-E706 VanDerWaalsContact O-N 3.14Å; E706-I709 PolarHBondContact O-N 2.75Å; E706-F710 WeakPolarHBondContact O-CB 3.36Å; E706-F710 PolarHBondContact O-N 3.31Å
707	F	88.1	Confident	88.9	Confident	5 Å²	5	33.8 Å²	33.8	2%	0.022	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-42.8	177.4	-178.2	-111.1	0	0	0	111.8	V36 L37 E502 Y568 L641 V646 E703 H704 Q705 I709 F710 L711	V36-F707 HydrophobicContact CG2-CB 4.33Å; L37-F707 HydrophobicContact CD2-CD2 4.28Å; L37-F707 HydrophobicContact CD2-CE2 4.32Å; E502-F707 WeakPolarHBondContact OE1-CE2 3.13Å; E502-F707 WeakPolarHBondContact OE1-CZ 3.39Å; E502-F707 WeakPolarHBondContact OE2-CE2 3.37Å; Y568-F707 HydrophobicContact CE1-CE2 4.48Å; L641-F707 HydrophobicContact CD2-CE1 4.21Å; V646-F707 HydrophobicContact CG2-CD1 4.15Å; E703-F707 PolarHBondContact O-N 3.1Å; H704-F707 PolarHBondContact O-N 3.02Å; Q705-F707 VanDerWaalsContact C-N 3.3Å; Q705-F707 PolarHBondContact O-N 3.39Å; F707-I709 PolarHBondContact O-N 2.82Å; F707-F710 HydrophobicContact CD2-CD1 4.2Å; F707-F710 HydrophobicContact CE2-CD1 4.18Å; F707-F710 HydrophobicContact CE2-CE1 4.5Å; F707-F710 WeakPolarHBondContact O-CB 3.49Å; F707-F710 PolarHBondContact O-N 2.86Å; F707-L711 HydrophobicContact CD1-CD1 4.06Å; F707-L711 HydrophobicContact CD1-CG 4.47Å; F707-L711 HydrophobicContact CE1-CD1 3.58Å; F707-L711 HydrophobicContact CE1-CG 4.1Å; F707-L711 HydrophobicContact CE2-CD2 4.47Å; F707-L711 HydrophobicContact CE2-CG 4.47Å; F707-L711 HydrophobicContact CZ-CD1 3.98Å; F707-L711 HydrophobicContact CZ-CD2 4.07Å; F707-L711 HydrophobicContact CZ-CG 4.09Å; F707-L711 WeakPolarHBondContact O-CG 3.47Å; F707-L711 PolarHBondContact O-N 3.31Å
708	F	88.3	Confident	89.3	Confident	6 Å²	6	31 Å²	31	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-44.8	173	-101.2	-66.1	0	0	0	112.8	A575 I578 V646 L647 V698 H704 Q705 F710 L711 Q712	A575-F708 HydrophobicContact CB-CD1 3.65Å; A575-F708 HydrophobicContact CB-CE1 3.88Å; I578-F708 HydrophobicContact CD1-CE1 3.83Å; I578-F708 HydrophobicContact CD1-CZ 3.9Å; V646-F708 HydrophobicContact CB-CE2 4.38Å; V646-F708 HydrophobicContact CG1-CD2 3.48Å; V646-F708 VanDerWaalsContact CG1-CD2 3.48Å; V646-F708 HydrophobicContact CG1-CE2 2.98Å; V646-F708 HydrophobicContact CG1-CG 4.47Å; V646-F708 HydrophobicContact CG1-CZ 3.61Å; L647-F708 HydrophobicContact CD2-CE2 4.24Å; L647-F708 HydrophobicContact CD2-CZ 3.8Å; L647-F708 HydrophobicContact CG-CZ 4.27Å; V698-F708 HydrophobicContact CG1-CD2 3.93Å; V698-F708 HydrophobicContact CG1-CE2 3.61Å; V698-F708 HydrophobicContact CG1-CZ 4.37Å; H704-F708 PolarHBondContact O-N 3.3Å; Q705-F708 PolarHBondContact O-N 3.14Å; F708-F710 VanDerWaalsContact C-N 3.29Å; F708-F710 PolarHBondContact O-N 3.44Å; F708-L711 WeakPolarHBondContact O-CB 3.42Å; F708-L711 PolarHBondContact O-N 2.99Å; F708-Q712 WeakPolarHBondContact O-CG 3.24Å; F708-Q712 PolarHBondContact O-N 2.97Å
709	I	90.9	Very high	89.7	Confident	56 Å²	56	30.5 Å²	30.5	29%	0.287	17%	0.165	S	C	.	.	H	α-helix	trans	-61.8	-41.3	176.4	-70.7	166.4	0	0	0	110.3	Q705 E706 F707 Q712 R713 L817	Q705-I709 VanDerWaalsContact O-CG1 3.29Å; Q705-I709 WeakPolarHBondContact O-CG1 3.48Å; Q705-I709 PolarHBondContact O-N 3.35Å; E706-I709 PolarHBondContact O-N 2.75Å; F707-I709 PolarHBondContact O-N 2.82Å; I709-Q712 PolarHBondContact O-N 2.75Å; I709-R713 HydrophobicContact CG2-CG 4.35Å; I709-R713 WeakPolarHBondContact O-CB 3.44Å; I709-R713 VanDerWaalsContact O-CG 3.24Å; I709-R713 WeakPolarHBondContact O-CG 3.43Å; I709-R713 PolarHBondContact O-N 3.08Å; I709-L817 HydrophobicContact CG2-CD2 4Å
710	F	93.1	Very high	90.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-48.4	173.5	163.6	-100.3	0	0	0	111.4	R482 M499 E706 F707 F708 Q712 R713 L714	R482-F710 HydrophobicContact CB-CD2 4.37Å; M499-F710 HydrophobicContact CE-CE1 4.03Å; M499-F710 HydrophobicContact CE-CE2 3.77Å; M499-F710 HydrophobicContact CE-CZ 3.4Å; E706-F710 WeakPolarHBondContact O-CB 3.36Å; E706-F710 PolarHBondContact O-N 3.31Å; F707-F710 HydrophobicContact CD2-CD1 4.2Å; F707-F710 HydrophobicContact CE2-CD1 4.18Å; F707-F710 HydrophobicContact CE2-CE1 4.5Å; F707-F710 WeakPolarHBondContact O-CB 3.49Å; F707-F710 PolarHBondContact O-N 2.86Å; F708-F710 VanDerWaalsContact C-N 3.29Å; F708-F710 PolarHBondContact O-N 3.44Å; F710-Q712 PolarHBondContact O-N 3.46Å; F710-R713 PolarHBondContact O-N 3.38Å; F710-L714 HydrophobicContact CE1-CD1 3.95Å; F710-L714 HydrophobicContact CE1-CG 4.47Å; F710-L714 HydrophobicContact CE2-CD2 4.14Å; F710-L714 HydrophobicContact CE2-CG 4.42Å; F710-L714 HydrophobicContact CZ-CD1 3.99Å; F710-L714 HydrophobicContact CZ-CD2 4.04Å; F710-L714 HydrophobicContact CZ-CG 4.2Å; F710-L714 PolarHBondContact O-N 3.19Å; F710-L714 VanDerWaalsContact O-N 3.16Å
711	L	93.4	Very high	90.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.2	-44.5	177.5	-70.5	178.6	0	0	0	112.2	Y568 D571 A572 A575 L641 F707 F708 R713 L714	Y568-L711 HydrophobicContact CD1-CD2 3.9Å; Y568-L711 HydrophobicContact CG-CD2 4.33Å; D571-L711 HydrophobicContact CB-CD1 4.09Å; D571-L711 HydrophobicContact CB-CD2 4.17Å; A572-L711 WeakPolarHBondContact CB-O 3.45Å; A575-L711 HydrophobicContact CB-CB 3.71Å; A575-L711 HydrophobicContact CB-CD1 4.22Å; L641-L711 HydrophobicContact CD2-CD1 4.34Å; F707-L711 HydrophobicContact CD1-CD1 4.06Å; F707-L711 HydrophobicContact CD1-CG 4.47Å; F707-L711 HydrophobicContact CE1-CD1 3.58Å; F707-L711 HydrophobicContact CE1-CG 4.1Å; F707-L711 HydrophobicContact CE2-CD2 4.47Å; F707-L711 HydrophobicContact CE2-CG 4.47Å; F707-L711 HydrophobicContact CZ-CD1 3.98Å; F707-L711 HydrophobicContact CZ-CD2 4.07Å; F707-L711 HydrophobicContact CZ-CG 4.09Å; F707-L711 WeakPolarHBondContact O-CG 3.47Å; F707-L711 PolarHBondContact O-N 3.31Å; F708-L711 WeakPolarHBondContact O-CB 3.42Å; F708-L711 PolarHBondContact O-N 2.99Å; L711-R713 VanDerWaalsContact C-N 3.35Å; L711-R713 PolarHBondContact O-N 3.18Å; L711-L714 HydrophobicContact CD2-CD1 4.25Å; L711-L714 WeakPolarHBondContact O-CB 3.47Å; L711-L714 PolarHBondContact O-N 2.86Å
712	Q	93.6	Very high	91.2	Very high	15 Å²	15	23.5 Å²	23.5	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-38.6	176.7	-69.3	166.6	-9.2	0	0	112.1	A575 F708 I709 F710 L714 L715 S716 L817	A575-Q712 HydrophobicContact CB-CG 3.96Å; A575-Q712 PolarHBondContact O-NE2 2.85Å; A575-Q712 VanDerWaalsContact O-NE2 3.1Å; F708-Q712 WeakPolarHBondContact O-CG 3.24Å; F708-Q712 PolarHBondContact O-N 2.97Å; I709-Q712 PolarHBondContact O-N 2.75Å; F710-Q712 PolarHBondContact O-N 3.46Å; Q712-L714 VanDerWaalsContact C-N 3.27Å; Q712-L714 PolarHBondContact O-N 3.49Å; Q712-L715 PolarHBondContact O-N 2.95Å; Q712-S716 PolarHBondContact O-N 2.95Å; Q712-S716 VanDerWaalsContact O-N 3.12Å; Q712-S716 PolarHBondContact O-OG 2.72Å; Q712-L817 HydrophobicContact CB-CB 4.41Å; Q712-L817 HydrophobicContact CB-CD2 4.42Å
713	R	93.8	Very high	91.7	Very high	82 Å²	82	20.6 Å²	20.6	31%	0.309	10%	0.096	S	C	.	.	H	α-helix	trans	-66.2	-26.4	177.5	-76.6	176	179	171.8	3.8	113.2	Y481 I709 F710 L711 L715 S716 P717 L817	Y481-R713 HydrophobicContact CD1-CB 4.29Å; Y481-R713 WeakPolarHBondContact CD1-O 3.49Å; Y481-R713 WeakPolarHBondContact O-CD 3Å; Y481-R713 PolarHBondContact O-NH1 3.07Å; Y481-R713 VanDerWaalsContact O-NH1 3.11Å; I709-R713 HydrophobicContact CG2-CG 4.35Å; I709-R713 WeakPolarHBondContact O-CB 3.44Å; I709-R713 VanDerWaalsContact O-CG 3.24Å; I709-R713 WeakPolarHBondContact O-CG 3.43Å; I709-R713 PolarHBondContact O-N 3.08Å; F710-R713 PolarHBondContact O-N 3.38Å; L711-R713 VanDerWaalsContact C-N 3.35Å; L711-R713 PolarHBondContact O-N 3.18Å; R713-L715 VanDerWaalsContact C-N 3.29Å; R713-L715 PolarHBondContact O-N 2.98Å; R713-S716 PolarHBondContact O-N 2.88Å; R713-P717 WeakPolarHBondContact O-CD 3.49Å; R713-L817 HydrophobicContact CG-CD2 4.07Å
714	L	93.5	Very high	92.4	Very high	6 Å²	6	18.9 Å²	18.9	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-61.1	-38.1	174.7	-68.8	172.5	0	0	0	112.3	Y481 Y568 A572 F710 L711 Q712	Y481-L714 HydrophobicContact CD2-CD2 3.46Å; Y481-L714 VanDerWaalsContact CD2-CD2 3.46Å; Y481-L714 HydrophobicContact CE2-CD2 3.79Å; Y481-L714 HydrophobicContact CG-CD2 3.96Å; Y568-L714 HydrophobicContact CD2-CD1 4.37Å; Y568-L714 HydrophobicContact CG-CD1 4.08Å; A572-L714 HydrophobicContact CB-CB 4.45Å; F710-L714 HydrophobicContact CE1-CD1 3.95Å; F710-L714 HydrophobicContact CE1-CG 4.47Å; F710-L714 HydrophobicContact CE2-CD2 4.14Å; F710-L714 HydrophobicContact CE2-CG 4.42Å; F710-L714 HydrophobicContact CZ-CD1 3.99Å; F710-L714 HydrophobicContact CZ-CD2 4.04Å; F710-L714 HydrophobicContact CZ-CG 4.2Å; F710-L714 PolarHBondContact O-N 3.19Å; F710-L714 VanDerWaalsContact O-N 3.16Å; L711-L714 HydrophobicContact CD2-CD1 4.25Å; L711-L714 WeakPolarHBondContact O-CB 3.47Å; L711-L714 PolarHBondContact O-N 2.86Å; Q712-L714 VanDerWaalsContact C-N 3.27Å; Q712-L714 PolarHBondContact O-N 3.49Å
715	L	93.9	Very high	92.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-89.4	-20.7	178.8	-74.4	-178.8	0	0	0	113.6	F565 I569 A572 I573 C576 L613 L617 Q712 R713 V718 L719	F565-L715 HydrophobicContact CE2-CD2 3.99Å; F565-L715 HydrophobicContact CZ-CD2 3.64Å; I569-L715 HydrophobicContact CD1-CD2 3.66Å; I569-L715 HydrophobicContact CD1-CG 4.46Å; A572-L715 HydrophobicContact CB-CD1 4.03Å; A572-L715 HydrophobicContact CB-CG 4Å; I573-L715 HydrophobicContact CG1-CD1 3.93Å; C576-L715 HydrophobicContact CB-CD1 4.35Å; L613-L715 HydrophobicContact CD2-CD1 4.36Å; L617-L715 HydrophobicContact CD1-CD1 4.25Å; L617-L715 HydrophobicContact CD1-CD2 3.89Å; Q712-L715 PolarHBondContact O-N 2.95Å; R713-L715 VanDerWaalsContact C-N 3.29Å; R713-L715 PolarHBondContact O-N 2.98Å; L715-V718 WeakPolarHBondContact O-CB 3.45Å; L715-V718 PolarHBondContact O-N 3.46Å; L715-L719 HydrophobicContact CB-CD1 4.21Å; L715-L719 HydrophobicContact CB-CG 4.5Å; L715-L719 PolarHBondContact O-N 3.39Å
716	S	93.9	Very high	93.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-55.6	-40.8	-172.9	-66.4	0	0	0	0	114.7	Q712 R713 V718 L719 E720 Y760	Q712-S716 PolarHBondContact O-N 2.95Å; Q712-S716 VanDerWaalsContact O-N 3.12Å; Q712-S716 PolarHBondContact O-OG 2.72Å; R713-S716 PolarHBondContact O-N 2.88Å; S716-V718 VanDerWaalsContact C-N 3.31Å; S716-V718 PolarHBondContact O-N 3.2Å; S716-L719 PolarHBondContact O-N 3.41Å; S716-E720 WeakPolarHBondContact O-CB 3.44Å; S716-E720 PolarHBondContact O-N 3.2Å; S716-Y760 VanDerWaalsContact CB-CE2 3.46Å
717	P	93.9	Very high	93.7	Very high	4 Å²	4	13.5 Å²	13.5	3%	0.026	7%	0.068	C	C	.	.	H	α-helix	trans	-64.3	-34.3	175.5	-23.2	31.8	0	0	0	114.3	Y481 R713 A721 Y760 E762 S763	Y481-P717 HydrophobicContact CE1-CG 3.91Å; R713-P717 WeakPolarHBondContact O-CD 3.49Å; P717-A721 PolarHBondContact O-N 2.96Å; P717-A721 VanDerWaalsContact O-N 3.12Å; P717-Y760 HydrophobicContact CB-CG 4.48Å; P717-Y760 HydrophobicContact CG-CD1 3.95Å; P717-Y760 HydrophobicContact CG-CG 4.01Å; P717-E762 HydrophobicContact CB-CG 3.74Å; P717-E762 HydrophobicContact CG-CG 3.78Å; P717-E762 WeakPolarHBondContact CG-OE1 3.47Å; P717-S763 WeakPolarHBondContact O-CA 3.16Å; P717-S763 WeakPolarHBondContact O-CB 3.29Å
718	V	94.4	Very high	94	Very high	6 Å²	6	15.3 Å²	15.3	4%	0.036	8%	0.076	C	C	.	.	H	α-helix	trans	-69.1	-50.2	176.1	-177.9	0	0	0	0	108.6	L617 E620 L715 S716 E720 A721 Y722 L768	L617-V718 HydrophobicContact CD2-CG1 3.88Å; E620-V718 HydrophobicContact CG-CG1 3.84Å; L715-V718 WeakPolarHBondContact O-CB 3.45Å; L715-V718 PolarHBondContact O-N 3.46Å; S716-V718 VanDerWaalsContact C-N 3.31Å; S716-V718 PolarHBondContact O-N 3.2Å; V718-E720 VanDerWaalsContact C-N 3.31Å; V718-E720 PolarHBondContact O-N 2.77Å; V718-A721 WeakPolarHBondContact O-CB 3.44Å; V718-A721 PolarHBondContact O-N 2.82Å; V718-A721 VanDerWaalsContact O-N 3.14Å; V718-Y722 HydrophobicContact CG1-CD2 4.04Å; V718-Y722 HydrophobicContact CG1-CE2 3.82Å; V718-Y722 WeakPolarHBondContact O-CD2 3.45Å; V718-Y722 PolarHBondContact O-N 3.48Å; V718-Y722 VanDerWaalsContact O-N 3.08Å; V718-L768 HydrophobicContact CG1-CD2 4.31Å; V718-L768 HydrophobicContact CG2-CD2 4.04Å
719	L	95.5	Very high	94.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.1	-37.7	178.8	-64.9	174.2	0	0	0	112.4	L613 L715 S716 Y722 S723 I812 F815	L613-L719 HydrophobicContact CD1-CD2 4.19Å; L715-L719 HydrophobicContact CB-CD1 4.21Å; L715-L719 HydrophobicContact CB-CG 4.5Å; L715-L719 PolarHBondContact O-N 3.39Å; S716-L719 PolarHBondContact O-N 3.41Å; L719-Y722 PolarHBondContact O-N 3.32Å; L719-S723 WeakPolarHBondContact O-CB 3.45Å; L719-S723 PolarHBondContact O-N 2.89Å; L719-S723 PolarHBondContact O-OG 3.35Å; L719-I812 HydrophobicContact CD2-CG2 4.47Å; L719-F815 HydrophobicContact CD1-CB 3.86Å; L719-F815 WeakPolarHBondContact CD1-O 3.41Å; L719-F815 HydrophobicContact CD2-CB 4.48Å
720	E	95.3	Very high	94.2	Very high	20 Å²	20	15 Å²	15	9%	0.093	7%	0.074	C	C	.	.	H	α-helix	trans	-65.6	-38.5	174.8	-176.6	175.4	-125.2	0	0	112.4	S716 V718 Y722 S723 G724 A759 Y760 S763	S716-E720 WeakPolarHBondContact O-CB 3.44Å; S716-E720 PolarHBondContact O-N 3.2Å; V718-E720 VanDerWaalsContact C-N 3.31Å; V718-E720 PolarHBondContact O-N 2.77Å; E720-Y722 VanDerWaalsContact C-N 3.31Å; E720-Y722 PolarHBondContact O-N 2.87Å; E720-S723 WeakPolarHBondContact CA-OG 3.31Å; E720-S723 PolarHBondContact O-OG 3.06Å; E720-S723 VanDerWaalsContact O-OG 3.07Å; E720-G724 PolarHBondContact O-N 3.06Å; E720-A759 WeakPolarHBondContact OE1-CB 3.44Å; E720-A759 PolarHBondContact OE1-N 3.36Å; E720-Y760 HydrophobicContact CB-CD2 4.46Å; E720-Y760 WeakPolarHBondContact OE2-CA 3.47Å; E720-Y760 WeakPolarHBondContact OE2-CB 3.3Å; E720-Y760 PolarHBondContact OE2-N 3.33Å; E720-Y760 VanDerWaalsContact OE2-O 3.08Å; E720-S763 WeakPolarHBondContact OE2-CB 3.44Å; E720-S763 PolarHBondContact OE2-OG 3.08Å
721	A	95.3	Very high	94	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.1	-41.5	174.7	0	0	0	0	0	111.2	P717 V718 A725 L749 S763 L768	P717-A721 PolarHBondContact O-N 2.96Å; P717-A721 VanDerWaalsContact O-N 3.12Å; V718-A721 WeakPolarHBondContact O-CB 3.44Å; V718-A721 PolarHBondContact O-N 2.82Å; V718-A721 VanDerWaalsContact O-N 3.14Å; A721-A725 WeakPolarHBondContact O-CB 3.39Å; A721-A725 PolarHBondContact O-N 3.42Å; A721-L749 HydrophobicContact CB-CD1 4.38Å; A721-S763 VanDerWaalsContact CB-O 3.31Å; A721-S763 WeakPolarHBondContact CB-O 3.47Å; A721-L768 HydrophobicContact CB-CB 4.17Å; A721-L768 HydrophobicContact CB-CD1 4.21Å
722	Y	95.9	Very high	93.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.6	-41.1	179	-81.5	-113.9	0	0	0	112.3	F616 E620 V718 L719 E720 A725 A726 T772 T775 F776	F616-Y722 AromaticContact CE1-CD1 3.47Å; F616-Y722 HydrophobicContact CE1-CD1 3.47Å; F616-Y722 VanDerWaalsContact CE1-CD1 3.47Å; F616-Y722 AromaticContact CE1-CE1 3.98Å; F616-Y722 HydrophobicContact CE1-CE1 3.98Å; F616-Y722 HydrophobicContact CE1-CG 4.07Å; F616-Y722 HydrophobicContact CE2-CD1 4.35Å; F616-Y722 AromaticContact CZ-CD1 3.38Å; F616-Y722 HydrophobicContact CZ-CD1 3.38Å; F616-Y722 HydrophobicContact CZ-CE1 4.01Å; F616-Y722 HydrophobicContact CZ-CG 4.23Å; E620-Y722 HydrophobicContact CG-CE2 4.25Å; E620-Y722 VanDerWaalsContact OE1-CE2 3.25Å; E620-Y722 WeakPolarHBondContact OE1-CE2 3.41Å; E620-Y722 PolarHBondContact OE1-OH 2.89Å; V718-Y722 HydrophobicContact CG1-CD2 4.04Å; V718-Y722 HydrophobicContact CG1-CE2 3.82Å; V718-Y722 WeakPolarHBondContact O-CD2 3.45Å; V718-Y722 PolarHBondContact O-N 3.48Å; V718-Y722 VanDerWaalsContact O-N 3.08Å; L719-Y722 PolarHBondContact O-N 3.32Å; E720-Y722 VanDerWaalsContact C-N 3.31Å; E720-Y722 PolarHBondContact O-N 2.87Å; Y722-A725 PolarHBondContact O-N 3.41Å; Y722-A726 WeakPolarHBondContact O-CB 3.4Å; Y722-A726 PolarHBondContact O-N 3.48Å; Y722-T772 HydrophobicContact CD1-CG2 3.93Å; Y722-T772 HydrophobicContact CD2-CG2 4.24Å; Y722-T772 VanDerWaalsContact CD2-OG1 3.29Å; Y722-T772 WeakPolarHBondContact CD2-OG1 3.28Å; Y722-T772 HydrophobicContact CE1-CG2 4.22Å; Y722-T772 WeakPolarHBondContact CE2-OG1 3.35Å; Y722-T772 HydrophobicContact CG-CG2 3.99Å; Y722-T775 HydrophobicContact CE1-CG2 3.86Å; Y722-T775 PolarHBondContact OH-OG1 3.49Å; Y722-F776 HydrophobicContact CD1-CE1 4.08Å
723	S	95.4	Very high	93.1	Very high	14 Å²	14	23.6 Å²	23.6	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-66.4	-39.6	174.3	71.3	0	0	0	0	111.1	L719 E720 A725 A726 V727	L719-S723 WeakPolarHBondContact O-CB 3.45Å; L719-S723 PolarHBondContact O-N 2.89Å; L719-S723 PolarHBondContact O-OG 3.35Å; E720-S723 WeakPolarHBondContact CA-OG 3.31Å; E720-S723 PolarHBondContact O-OG 3.06Å; E720-S723 VanDerWaalsContact O-OG 3.07Å; S723-A725 VanDerWaalsContact C-N 3.32Å; S723-A725 PolarHBondContact O-N 3.41Å; S723-A726 WeakPolarHBondContact O-CB 3.31Å; S723-A726 PolarHBondContact O-N 2.95Å; S723-V727 WeakPolarHBondContact O-CG2 3.49Å; S723-V727 PolarHBondContact O-N 3.39Å
724	G	95	Very high	92.7	Very high	3 Å²	3	27.1 Å²	27.1	3%	0.031	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-39.9	173.7	0	0	0	0	0	112.2	E720 V727 F728 Y748	E720-G724 PolarHBondContact O-N 3.06Å; G724-V727 PolarHBondContact O-N 2.98Å; G724-F728 WeakPolarHBondContact O-CB 3.42Å; G724-F728 PolarHBondContact O-N 3.01Å; G724-Y748 WeakPolarHBondContact O-CE1 3.35Å
725	A	95.3	Very high	92.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.008	19%	0.187	C	C	.	.	H	α-helix	trans	-68.4	-40	172.9	0	0	0	0	0	112.7	A721 Y722 S723 V727 F728 V729 L745 T772 F776	A721-A725 WeakPolarHBondContact O-CB 3.39Å; A721-A725 PolarHBondContact O-N 3.42Å; Y722-A725 PolarHBondContact O-N 3.41Å; S723-A725 VanDerWaalsContact C-N 3.32Å; S723-A725 PolarHBondContact O-N 3.41Å; A725-V727 VanDerWaalsContact C-N 3.32Å; A725-V727 PolarHBondContact O-N 3.21Å; A725-F728 WeakPolarHBondContact O-CB 3.47Å; A725-F728 PolarHBondContact O-N 2.89Å; A725-F728 VanDerWaalsContact O-N 3.16Å; A725-V729 WeakPolarHBondContact O-CG2 3.41Å; A725-V729 PolarHBondContact O-N 3.03Å; A725-L745 HydrophobicContact CB-CD1 3.96Å; A725-L745 HydrophobicContact CB-CD2 3.89Å; A725-T772 HydrophobicContact CB-CG2 3.35Å; A725-F776 HydrophobicContact CB-CE2 3.85Å; A725-F776 HydrophobicContact CB-CZ 4Å
726	A	94.8	Very high	92.5	Very high	2 Å²	2	31.4 Å²	31.4	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-43.3	174.6	0	0	0	0	0	111	Y722 S723 V729 H730 F776 L808 L809 I812	Y722-A726 WeakPolarHBondContact O-CB 3.4Å; Y722-A726 PolarHBondContact O-N 3.48Å; S723-A726 WeakPolarHBondContact O-CB 3.31Å; S723-A726 PolarHBondContact O-N 2.95Å; A726-V729 PolarHBondContact O-N 3.33Å; A726-H730 PolarHBondContact O-CD2 2.86Å; A726-H730 VanDerWaalsContact O-CD2 3.25Å; A726-F776 HydrophobicContact CB-CZ 4.19Å; A726-L808 HydrophobicContact CB-CD2 4.46Å; A726-L809 HydrophobicContact CB-CB 4.34Å; A726-L809 HydrophobicContact CB-CD1 4.09Å; A726-I812 HydrophobicContact CB-CD1 3.98Å
727	V	94.8	Very high	92.4	Very high	59 Å²	59	33.4 Å²	33.4	36%	0.358	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-45.4	172.1	173.5	0	0	0	0	111.3	S723 G724 A725 V729 H730 L809	S723-V727 WeakPolarHBondContact O-CG2 3.49Å; S723-V727 PolarHBondContact O-N 3.39Å; G724-V727 PolarHBondContact O-N 2.98Å; A725-V727 VanDerWaalsContact C-N 3.32Å; A725-V727 PolarHBondContact O-N 3.21Å; V727-V729 VanDerWaalsContact C-N 3.25Å; V727-V729 PolarHBondContact O-N 2.95Å; V727-H730 WeakPolarHBondContact O-CB 3.42Å; V727-H730 PolarHBondContact O-N 2.87Å; V727-H730 VanDerWaalsContact O-N 3.11Å; V727-L809 HydrophobicContact CG2-CD1 3.9Å; V727-L809 HydrophobicContact CG2-CD2 3.87Å
728	F	94.4	Very high	92.3	Very high	44 Å²	44	35.9 Å²	35.9	19%	0.193	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-37.2	179	-178.3	-99.3	0	0	0	112.4	G724 A725 H730 G731 F741 R744 L745 Y748	G724-F728 WeakPolarHBondContact O-CB 3.42Å; G724-F728 PolarHBondContact O-N 3.01Å; A725-F728 WeakPolarHBondContact O-CB 3.47Å; A725-F728 PolarHBondContact O-N 2.89Å; A725-F728 VanDerWaalsContact O-N 3.16Å; F728-H730 PolarHBondContact O-N 3.26Å; F728-G731 PolarHBondContact O-N 3.38Å; F728-F741 HydrophobicContact CD1-CE2 4.01Å; F728-F741 AromaticContact CD1-CZ 3.91Å; F728-F741 HydrophobicContact CD1-CZ 3.91Å; F728-F741 HydrophobicContact CE1-CD2 4.1Å; F728-F741 AromaticContact CE1-CE2 3.63Å; F728-F741 HydrophobicContact CE1-CE2 3.63Å; F728-F741 AromaticContact CE1-CZ 3.91Å; F728-F741 HydrophobicContact CE1-CZ 3.91Å; F728-R744 HydrophobicContact CE2-CB 4.45Å; F728-R744 HydrophobicContact CZ-CB 3.81Å; F728-L745 HydrophobicContact CB-CD1 3.78Å; F728-L745 HydrophobicContact CD1-CB 4.12Å; F728-L745 HydrophobicContact CD1-CD1 3.9Å; F728-L745 HydrophobicContact CD1-CG 4.49Å; F728-L745 HydrophobicContact CD2-CD1 4.44Å; F728-L745 HydrophobicContact CE1-CB 4.04Å; F728-L745 HydrophobicContact CG-CD1 3.79Å; F728-L745 HydrophobicContact CZ-CB 4.48Å; F728-Y748 HydrophobicContact CB-CD1 4.11Å; F728-Y748 HydrophobicContact CB-CE1 4.18Å; F728-Y748 AromaticContact CD2-CD1 3.93Å; F728-Y748 HydrophobicContact CD2-CD1 3.93Å; F728-Y748 HydrophobicContact CD2-CD2 4.2Å; F728-Y748 AromaticContact CD2-CG 3.73Å; F728-Y748 HydrophobicContact CD2-CG 3.73Å; F728-Y748 HydrophobicContact CE2-CG 4.37Å; F728-Y748 HydrophobicContact CG-CD1 4.39Å
729	V	92.5	Very high	92.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-24.8	178.1	164.4	0	0	0	0	112.8	A725 A726 V727 G731 L732 F741 F776 V781 L795	A725-V729 WeakPolarHBondContact O-CG2 3.41Å; A725-V729 PolarHBondContact O-N 3.03Å; A726-V729 PolarHBondContact O-N 3.33Å; V727-V729 VanDerWaalsContact C-N 3.25Å; V727-V729 PolarHBondContact O-N 2.95Å; V729-G731 PolarHBondContact O-N 3.02Å; V729-L732 WeakPolarHBondContact O-CB 3.4Å; V729-L732 PolarHBondContact O-N 2.95Å; V729-L732 VanDerWaalsContact O-N 3.11Å; V729-F741 HydrophobicContact CG2-CZ 4.12Å; V729-F776 HydrophobicContact CG2-CD2 4.05Å; V729-F776 HydrophobicContact CG2-CE2 3.98Å; V729-V781 HydrophobicContact CG1-CG1 4.27Å; V729-L795 HydrophobicContact CG1-CD2 3.45Å; V729-L795 VanDerWaalsContact CG1-CD2 3.45Å
730	H	91.1	Very high	91.9	Very high	53 Å²	53	42.6 Å²	42.6	25%	0.245	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27	172.8	-77.1	-96.9	0	0	0	113.6	A726 V727 F728 R805 N806	A726-H730 PolarHBondContact O-CD2 2.86Å; A726-H730 VanDerWaalsContact O-CD2 3.25Å; V727-H730 WeakPolarHBondContact O-CB 3.42Å; V727-H730 PolarHBondContact O-N 2.87Å; V727-H730 VanDerWaalsContact O-N 3.11Å; F728-H730 PolarHBondContact O-N 3.26Å; H730-R805 VanDerWaalsContact CE1-CB 3.41Å; H730-R805 WeakPolarHBondContact CE1-CB 3.07Å; H730-R805 PolarHBondContact ND1-NE 3.37Å; H730-R805 WeakPolarHBondContact NE2-CB 3.38Å; H730-N806 PolarHBondContact CE1-OD1 2.72Å
731	G	87.4	Confident	91.8	Very high	62 Å²	62	41.7 Å²	41.7	64%	0.639	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	1.7	177.7	0	0	0	0	0	114.5	F728 V729 S733	F728-G731 PolarHBondContact O-N 3.38Å; V729-G731 PolarHBondContact O-N 3.02Å; G731-S733 PolarHBondContact O-N 3.19Å
732	L	87.9	Confident	91.7	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	26%	0.257	C	S	.	.			trans	-83.4	94.3	-177.9	-170.6	66	0	0	0	110.8	V729 Q734 F741 L782 L795	V729-L732 WeakPolarHBondContact O-CB 3.4Å; V729-L732 PolarHBondContact O-N 2.95Å; V729-L732 VanDerWaalsContact O-N 3.11Å; L732-Q734 WeakPolarHBondContact CD1-O 3.36Å; L732-F741 HydrophobicContact CD1-CD2 4.1Å; L732-F741 HydrophobicContact CD1-CE2 4.05Å; L732-F741 HydrophobicContact CD2-CD2 4.38Å; L732-F741 HydrophobicContact CD2-CE2 3.87Å; L732-F741 HydrophobicContact CG-CE2 4.47Å; L732-L782 HydrophobicContact CD2-CD2 3.87Å; L732-L795 HydrophobicContact CB-CD1 4.34Å; L732-L795 HydrophobicContact CB-CG 4.41Å; L732-L795 HydrophobicContact CD2-CD2 4.08Å; L732-L795 HydrophobicContact CD2-CG 3.97Å; L732-L795 HydrophobicContact CG-CG 4.4Å; L732-L795 WeakPolarHBondContact O-CD1 3.44Å
733	S	80.5	Confident	91.6	Very high	115 Å²	115	46 Å²	46	80%	0.804	28%	0.276	S	S	*	.			trans	-98.7	-18.5	179.9	-51.2	0	0	0	0	114.5	G731	G731-S733 PolarHBondContact O-N 3.19Å
734	Q	86.6	Confident	91.6	Very high	157 Å²	157	52.4 Å²	52.4	73%	0.734	30%	0.298	S	S	*	.	S	Bend	trans	-133.1	147.3	-176.5	-69.3	-175.4	-10	0	0	111.3	L732	L732-Q734 WeakPolarHBondContact CD1-O 3.36Å
735	P	89.9	Confident	91.6	Very high	79 Å²	79	52.3 Å²	52.3	51%	0.513	30%	0.296	S	S	.	.			trans	-57.2	141.9	171.2	-21.7	32.7	0	0	0	111.1	V792 L793 E794	P735-V792 HydrophobicContact CB-CG1 3.65Å; P735-L793 WeakPolarHBondContact CA-O 3.48Å; P735-E794 HydrophobicContact CB-CB 4.16Å; P735-E794 HydrophobicContact CG-CB 4.13Å
736	M	92.4	Very high	91.6	Very high	16 Å²	16	52.6 Å²	52.6	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	151	-177.7	114.9	-179.2	-64.3	0	0	112.6	E738 D740 F741 R744 V792 L793	M736-E738 PolarHBondContact O-N 2.83Å; M736-D740 HydrophobicContact CE-CB 3.68Å; M736-D740 HydrophobicContact CG-CB 4.36Å; M736-D740 HydrophobicContact SD-CB 4.43Å; M736-F741 HydrophobicContact CG-CB 3.75Å; M736-F741 HydrophobicContact CG-CD2 4.41Å; M736-F741 WeakPolarHBondContact SD-CA 3.49Å; M736-F741 HydrophobicContact SD-CB 3.62Å; M736-F741 HydrophobicContact SD-CD2 3.83Å; M736-F741 HydrophobicContact SD-CG 4.22Å; M736-F741 PolarHBondContact SD-N 3.24Å; M736-F741 VanDerWaalsContact SD-N 3.39Å; M736-R744 HydrophobicContact CE-CG 4.47Å; M736-R744 VanDerWaalsContact CE-NE 3.28Å; M736-V792 CarbonylContact O-C 3.58Å; M736-V792 WeakPolarHBondContact O-CA 3.37Å; M736-L793 PolarHBondContact N-O 3.01Å; M736-L793 PolarHBondContact O-N 3.22Å
737	P	92.8	Very high	91.5	Very high	42 Å²	42	58.2 Å²	58.2	27%	0.273	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	138.3	174.6	-24.2	34.3	0	0	0	112.6	S739 D740 F741 V790 S791	P737-S739 PolarHBondContact O-N 3.36Å; P737-D740 HydrophobicContact CB-CB 4.26Å; P737-D740 WeakPolarHBondContact O-CB 3.31Å; P737-D740 PolarHBondContact O-N 2.77Å; P737-F741 PolarHBondContact O-N 3.42Å; P737-V790 HydrophobicContact CB-CG1 3.95Å; P737-V790 HydrophobicContact CG-CG1 4.45Å; P737-S791 CarbonylContact C-O 3.59Å; P737-S791 WeakPolarHBondContact CA-O 3.42Å
738	E	91.6	Very high	91.5	Very high	56 Å²	56	58.6 Å²	58.6	26%	0.262	32%	0.317	S	S	.	.	H	α-helix	trans	-55.9	-36.8	179.8	174.6	170.7	162.9	0	0	112.5	M736 D740 T742 K777 S791 L793	M736-E738 PolarHBondContact O-N 2.83Å; E738-D740 VanDerWaalsContact C-N 3.31Å; E738-D740 PolarHBondContact O-N 3.07Å; E738-T742 VanDerWaalsContact O-CB 3.31Å; E738-T742 WeakPolarHBondContact O-CB 3.49Å; E738-T742 PolarHBondContact O-N 3.06Å; E738-T742 PolarHBondContact O-OG1 3.3Å; E738-K777 VanDerWaalsContact CD-NZ 3.34Å; E738-K777 IonicContact OE1-NZ 3.65Å; E738-K777 PolarHBondContact OE1-NZ 3.34Å; E738-K777 IonicContact OE2-NZ 3.56Å; E738-K777 PolarHBondContact OE2-NZ 2.89Å; E738-S791 PolarHBondContact N-O 3.32Å; E738-S791 PolarHBondContact OE2-OG 3.47Å; E738-L793 HydrophobicContact CB-CD1 3.96Å; E738-L793 HydrophobicContact CB-CD2 4.29Å; E738-L793 HydrophobicContact CB-CG 3.92Å; E738-L793 HydrophobicContact CG-CD1 4.01Å; E738-L793 HydrophobicContact CG-CG 4.43Å
739	S	90	Very high	91.6	Very high	80 Å²	80	56.8 Å²	56.8	56%	0.559	31%	0.309	S	S	*	.	H	α-helix	trans	-60.6	-42.1	175.2	53.6	0	0	0	0	112.2	P737 L743	P737-S739 PolarHBondContact O-N 3.36Å; S739-L743 VanDerWaalsContact O-CB 3.31Å; S739-L743 WeakPolarHBondContact O-CB 3.23Å; S739-L743 PolarHBondContact O-N 2.51Å
740	D	91.6	Very high	91.6	Very high	68 Å²	68	57.8 Å²	57.8	36%	0.364	32%	0.315	S	S	.	.	H	α-helix	trans	-76.5	-39.5	-176.1	-69.3	12.1	0	0	0	110.2	M736 P737 E738 L743 R744	M736-D740 HydrophobicContact CE-CB 3.68Å; M736-D740 HydrophobicContact CG-CB 4.36Å; M736-D740 HydrophobicContact SD-CB 4.43Å; P737-D740 HydrophobicContact CB-CB 4.26Å; P737-D740 WeakPolarHBondContact O-CB 3.31Å; P737-D740 PolarHBondContact O-N 2.77Å; E738-D740 VanDerWaalsContact C-N 3.31Å; E738-D740 PolarHBondContact O-N 3.07Å; D740-L743 PolarHBondContact O-N 3.03Å; D740-R744 WeakPolarHBondContact O-CB 3.38Å; D740-R744 VanDerWaalsContact O-CG 3.29Å; D740-R744 WeakPolarHBondContact O-CG 3.29Å; D740-R744 PolarHBondContact O-N 3.06Å
741	F	93.3	Very high	91.8	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-58.1	-52.5	172.9	-173.1	-92.1	0	0	0	110.9	F728 V729 L732 M736 P737 L743 R744 L745 V773 L782 L793	F728-F741 HydrophobicContact CD1-CE2 4.01Å; F728-F741 AromaticContact CD1-CZ 3.91Å; F728-F741 HydrophobicContact CD1-CZ 3.91Å; F728-F741 HydrophobicContact CE1-CD2 4.1Å; F728-F741 AromaticContact CE1-CE2 3.63Å; F728-F741 HydrophobicContact CE1-CE2 3.63Å; F728-F741 AromaticContact CE1-CZ 3.91Å; F728-F741 HydrophobicContact CE1-CZ 3.91Å; V729-F741 HydrophobicContact CG2-CZ 4.12Å; L732-F741 HydrophobicContact CD1-CD2 4.1Å; L732-F741 HydrophobicContact CD1-CE2 4.05Å; L732-F741 HydrophobicContact CD2-CD2 4.38Å; L732-F741 HydrophobicContact CD2-CE2 3.87Å; L732-F741 HydrophobicContact CG-CE2 4.47Å; M736-F741 HydrophobicContact CG-CB 3.75Å; M736-F741 HydrophobicContact CG-CD2 4.41Å; M736-F741 WeakPolarHBondContact SD-CA 3.49Å; M736-F741 HydrophobicContact SD-CB 3.62Å; M736-F741 HydrophobicContact SD-CD2 3.83Å; M736-F741 HydrophobicContact SD-CG 4.22Å; M736-F741 PolarHBondContact SD-N 3.24Å; M736-F741 VanDerWaalsContact SD-N 3.39Å; P737-F741 PolarHBondContact O-N 3.42Å; F741-L743 VanDerWaalsContact C-N 3.31Å; F741-L743 PolarHBondContact O-N 3Å; F741-R744 PolarHBondContact O-N 2.99Å; F741-L745 HydrophobicContact CE1-CD2 4.09Å; F741-L745 WeakPolarHBondContact O-CB 3.06Å; F741-L745 PolarHBondContact O-N 2.75Å; F741-V773 HydrophobicContact CD1-CG2 3.86Å; F741-V773 HydrophobicContact CE1-CG2 3.88Å; F741-L782 HydrophobicContact CE1-CD1 3.89Å; F741-L782 HydrophobicContact CZ-CD1 4.05Å; F741-L782 HydrophobicContact CZ-CD2 4.43Å; F741-L793 HydrophobicContact CB-CD1 4.05Å; F741-L793 HydrophobicContact CD1-CD1 4.02Å; F741-L793 HydrophobicContact CG-CD1 4.05Å
742	T	93.3	Very high	92.1	Very high	13 Å²	13	57.9 Å²	57.9	8%	0.08	30%	0.299	C	S	.	.	H	α-helix	trans	-58.7	-43.9	179.4	-55.6	0	0	0	0	111	E738 F746 V769 K770	E738-T742 VanDerWaalsContact O-CB 3.31Å; E738-T742 WeakPolarHBondContact O-CB 3.49Å; E738-T742 PolarHBondContact O-N 3.06Å; E738-T742 PolarHBondContact O-OG1 3.3Å; T742-F746 VanDerWaalsContact O-CB 3.27Å; T742-F746 WeakPolarHBondContact O-CB 2.98Å; T742-F746 PolarHBondContact O-N 3.48Å; T742-V769 HydrophobicContact CG2-CG1 3.93Å; T742-K770 HydrophobicContact CG2-CG 3.97Å
743	L	93.3	Very high	92.3	Very high	77 Å²	77	57.7 Å²	57.7	40%	0.403	30%	0.299	S	S	.	.	H	α-helix	trans	-67.7	-41.2	179.5	-177.5	63.9	0	0	0	112.5	S739 D740 F741 K747	S739-L743 VanDerWaalsContact O-CB 3.31Å; S739-L743 WeakPolarHBondContact O-CB 3.23Å; S739-L743 PolarHBondContact O-N 2.51Å; D740-L743 PolarHBondContact O-N 3.03Å; F741-L743 VanDerWaalsContact C-N 3.31Å; F741-L743 PolarHBondContact O-N 3Å; L743-K747 WeakPolarHBondContact O-CG 3.34Å; L743-K747 PolarHBondContact O-N 2.71Å
744	R	94.2	Very high	92.7	Very high	148 Å²	148	58.5 Å²	58.5	56%	0.558	29%	0.29	S	S	*	.	H	α-helix	trans	-68.3	-43	178	-73.2	-173.8	-169.7	-174.2	5.8	111.6	F728 M736 D740 F741 F746 K747 Y748	F728-R744 HydrophobicContact CE2-CB 4.45Å; F728-R744 HydrophobicContact CZ-CB 3.81Å; M736-R744 HydrophobicContact CE-CG 4.47Å; M736-R744 VanDerWaalsContact CE-NE 3.28Å; D740-R744 WeakPolarHBondContact O-CB 3.38Å; D740-R744 VanDerWaalsContact O-CG 3.29Å; D740-R744 WeakPolarHBondContact O-CG 3.29Å; D740-R744 PolarHBondContact O-N 3.06Å; F741-R744 PolarHBondContact O-N 2.99Å; R744-F746 VanDerWaalsContact C-N 3.35Å; R744-K747 PolarHBondContact O-N 2.94Å; R744-Y748 WeakPolarHBondContact O-CB 3.22Å; R744-Y748 PolarHBondContact O-N 2.94Å
745	L	95.1	Very high	92.9	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-45	174.4	175.5	56.5	0	0	0	111	A725 F728 F741 K747 Y748 L749 V769 V773	A725-L745 HydrophobicContact CB-CD1 3.96Å; A725-L745 HydrophobicContact CB-CD2 3.89Å; F728-L745 HydrophobicContact CB-CD1 3.78Å; F728-L745 HydrophobicContact CD1-CB 4.12Å; F728-L745 HydrophobicContact CD1-CD1 3.9Å; F728-L745 HydrophobicContact CD1-CG 4.49Å; F728-L745 HydrophobicContact CD2-CD1 4.44Å; F728-L745 HydrophobicContact CE1-CB 4.04Å; F728-L745 HydrophobicContact CG-CD1 3.79Å; F728-L745 HydrophobicContact CZ-CB 4.48Å; F741-L745 HydrophobicContact CE1-CD2 4.09Å; F741-L745 WeakPolarHBondContact O-CB 3.06Å; F741-L745 PolarHBondContact O-N 2.75Å; L745-K747 PolarHBondContact O-N 2.83Å; L745-Y748 HydrophobicContact CD1-CD1 4.38Å; L745-Y748 WeakPolarHBondContact O-CB 3.43Å; L745-Y748 PolarHBondContact O-N 3.22Å; L745-L749 HydrophobicContact CD1-CD1 4.43Å; L745-L749 HydrophobicContact CD1-CG 4.2Å; L745-L749 PolarHBondContact O-N 3.07Å; L745-V769 HydrophobicContact CB-CG1 4.19Å; L745-V769 HydrophobicContact CD2-CG1 3.9Å; L745-V769 HydrophobicContact CG-CG1 3.9Å; L745-V773 HydrophobicContact CD2-CG2 4.06Å
746	F	95.1	Very high	92.8	Very high	7 Å²	7	59.6 Å²	59.6	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-47.4	175.5	172.7	-108.4	0	0	0	112.4	Q357 L358 T742 R744 Y748 L749 L750 A764 H766 V769	Q357-F746 WeakPolarHBondContact O-CE2 3.33Å; L358-F746 VanDerWaalsContact C-CZ 3.41Å; L358-F746 VanDerWaalsContact O-CE1 3.27Å; L358-F746 WeakPolarHBondContact O-CE1 3.23Å; T742-F746 VanDerWaalsContact O-CB 3.27Å; T742-F746 WeakPolarHBondContact O-CB 2.98Å; T742-F746 PolarHBondContact O-N 3.48Å; R744-F746 VanDerWaalsContact C-N 3.35Å; F746-Y748 VanDerWaalsContact C-N 3.31Å; F746-Y748 PolarHBondContact O-N 3.35Å; F746-L749 PolarHBondContact O-N 3.27Å; F746-L750 HydrophobicContact CE1-CD2 4.22Å; F746-L750 HydrophobicContact CZ-CD2 4.08Å; F746-L750 VanDerWaalsContact O-CB 3.32Å; F746-L750 WeakPolarHBondContact O-CB 3.45Å; F746-L750 PolarHBondContact O-N 3.13Å; F746-A764 WeakPolarHBondContact CE2-O 3.01Å; F746-H766 HydrophobicContact CD2-CB 3.83Å; F746-H766 HydrophobicContact CE2-CB 3.82Å; F746-H766 HydrophobicContact CG-CB 4.46Å; F746-H766 HydrophobicContact CZ-CB 4.47Å; F746-V769 HydrophobicContact CB-CG1 4.19Å; F746-V769 HydrophobicContact CB-CG2 4.15Å; F746-V769 HydrophobicContact CD2-CG2 4.18Å
747	K	94.3	Very high	92.6	Very high	121 Å²	121	62.9 Å²	62.9	53%	0.526	32%	0.318	S	S	.	.	H	α-helix	trans	-60.2	-40.7	175.3	-74.8	177.9	179.2	-177.6	0	112.1	L743 R744 L745 L750 T751	L743-K747 WeakPolarHBondContact O-CG 3.34Å; L743-K747 PolarHBondContact O-N 2.71Å; R744-K747 PolarHBondContact O-N 2.94Å; L745-K747 PolarHBondContact O-N 2.83Å; K747-L750 PolarHBondContact O-N 3.43Å; K747-T751 WeakPolarHBondContact O-CB 3.3Å; K747-T751 PolarHBondContact O-N 3.49Å; K747-T751 PolarHBondContact O-OG1 2.85Å
748	Y	95.1	Very high	92.5	Very high	67 Å²	67	61.5 Å²	61.5	26%	0.263	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-51	177.5	170.8	-101.4	0	0	0	112	G724 F728 R744 L745 F746 L750 T751 R752	G724-Y748 WeakPolarHBondContact O-CE1 3.35Å; F728-Y748 HydrophobicContact CB-CD1 4.11Å; F728-Y748 HydrophobicContact CB-CE1 4.18Å; F728-Y748 AromaticContact CD2-CD1 3.93Å; F728-Y748 HydrophobicContact CD2-CD1 3.93Å; F728-Y748 HydrophobicContact CD2-CD2 4.2Å; F728-Y748 AromaticContact CD2-CG 3.73Å; F728-Y748 HydrophobicContact CD2-CG 3.73Å; F728-Y748 HydrophobicContact CE2-CG 4.37Å; F728-Y748 HydrophobicContact CG-CD1 4.39Å; R744-Y748 WeakPolarHBondContact O-CB 3.22Å; R744-Y748 PolarHBondContact O-N 2.94Å; L745-Y748 HydrophobicContact CD1-CD1 4.38Å; L745-Y748 WeakPolarHBondContact O-CB 3.43Å; L745-Y748 PolarHBondContact O-N 3.22Å; F746-Y748 VanDerWaalsContact C-N 3.31Å; F746-Y748 PolarHBondContact O-N 3.35Å; Y748-L750 VanDerWaalsContact C-N 3.35Å; Y748-L750 PolarHBondContact O-N 2.87Å; Y748-T751 PolarHBondContact O-N 3.02Å; Y748-R752 VanDerWaalsContact CE1-CD 3.5Å; Y748-R752 WeakPolarHBondContact O-CG 3.36Å; Y748-R752 PolarHBondContact O-N 2.68Å; Y748-R752 VanDerWaalsContact O-N 3.08Å; Y748-R752 PolarHBondContact OH-NH1 2.99Å
749	L	94.9	Very high	92.4	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-65.6	-38	178.2	-63	-175.7	0	0	0	112.3	A721 L745 F746 R752 T753 A764 V769	A721-L749 HydrophobicContact CB-CD1 4.38Å; L745-L749 HydrophobicContact CD1-CD1 4.43Å; L745-L749 HydrophobicContact CD1-CG 4.2Å; L745-L749 PolarHBondContact O-N 3.07Å; F746-L749 PolarHBondContact O-N 3.27Å; L749-R752 WeakPolarHBondContact O-CB 3.23Å; L749-R752 PolarHBondContact O-N 2.9Å; L749-T753 PolarHBondContact O-N 3.37Å; L749-T753 PolarHBondContact O-OG1 3.13Å; L749-T753 VanDerWaalsContact O-OG1 3.09Å; L749-A764 HydrophobicContact CB-CB 3.92Å; L749-V769 HydrophobicContact CD1-CG2 3.77Å
750	L	94	Very high	92.5	Very high	24 Å²	24	58 Å²	58	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-63.8	-46.5	176.8	-174.8	63.9	0	0	0	111.5	L358 V551 F746 K747 Y748 R752 T753 E754	L358-L750 HydrophobicContact CD2-CD1 4.45Å; V551-L750 HydrophobicContact CG1-CD1 3.87Å; V551-L750 HydrophobicContact CG2-CD1 4.29Å; F746-L750 HydrophobicContact CE1-CD2 4.22Å; F746-L750 HydrophobicContact CZ-CD2 4.08Å; F746-L750 VanDerWaalsContact O-CB 3.32Å; F746-L750 WeakPolarHBondContact O-CB 3.45Å; F746-L750 PolarHBondContact O-N 3.13Å; K747-L750 PolarHBondContact O-N 3.43Å; Y748-L750 VanDerWaalsContact C-N 3.35Å; Y748-L750 PolarHBondContact O-N 2.87Å; L750-R752 VanDerWaalsContact C-N 3.29Å; L750-R752 PolarHBondContact O-N 3.14Å; L750-T753 WeakPolarHBondContact O-CA 3.14Å; L750-T753 WeakPolarHBondContact O-CB 3.34Å; L750-T753 PolarHBondContact O-N 3.08Å; L750-E754 HydrophobicContact CG-CG 4.46Å; L750-E754 WeakPolarHBondContact O-CG 3.41Å; L750-E754 PolarHBondContact O-N 3.41Å
751	T	94.3	Very high	92.3	Very high	51 Å²	51	55 Å²	55	31%	0.313	28%	0.277	S	S	.	.	H	α-helix	trans	-62.6	-35	176.5	-62.3	0	0	0	0	112.2	K747 Y748 T753 R755	K747-T751 WeakPolarHBondContact O-CB 3.3Å; K747-T751 PolarHBondContact O-N 3.49Å; K747-T751 PolarHBondContact O-OG1 2.85Å; Y748-T751 PolarHBondContact O-N 3.02Å; T751-T753 VanDerWaalsContact C-N 3.32Å; T751-R755 HydrophobicContact CG2-CG 4.35Å; T751-R755 WeakPolarHBondContact O-CB 3.33Å; T751-R755 VanDerWaalsContact O-CG 3.23Å; T751-R755 WeakPolarHBondContact O-CG 3.02Å; T751-R755 PolarHBondContact O-N 3.26Å
752	R	93.6	Very high	92.2	Very high	66 Å²	66	55 Å²	55	25%	0.249	28%	0.277	C	S	.	.	H	α-helix	trans	-62.2	-41.2	172.3	-72.8	173.5	61.6	88	8.9	111.8	Y748 L749 L750 G756 V757 A758	Y748-R752 VanDerWaalsContact CE1-CD 3.5Å; Y748-R752 WeakPolarHBondContact O-CG 3.36Å; Y748-R752 PolarHBondContact O-N 2.68Å; Y748-R752 VanDerWaalsContact O-N 3.08Å; Y748-R752 PolarHBondContact OH-NH1 2.99Å; L749-R752 WeakPolarHBondContact O-CB 3.23Å; L749-R752 PolarHBondContact O-N 2.9Å; L750-R752 VanDerWaalsContact C-N 3.29Å; L750-R752 PolarHBondContact O-N 3.14Å; R752-G756 PolarHBondContact O-N 3.33Å; R752-V757 HydrophobicContact CB-CB 4.45Å; R752-V757 PolarHBondContact O-N 2.79Å; R752-A758 HydrophobicContact CB-CB 4.43Å; R752-A758 PolarHBondContact O-N 3.25Å
753	T	91.6	Very high	92.2	Very high	18 Å²	18	54.5 Å²	54.5	11%	0.11	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-48.5	177.5	-59.6	0	0	0	0	111.5	V551 L749 L750 T751 R755 G756 G761 A764	V551-T753 HydrophobicContact CG2-CG2 3.91Å; L749-T753 PolarHBondContact O-N 3.37Å; L749-T753 PolarHBondContact O-OG1 3.13Å; L749-T753 VanDerWaalsContact O-OG1 3.09Å; L750-T753 WeakPolarHBondContact O-CA 3.14Å; L750-T753 WeakPolarHBondContact O-CB 3.34Å; L750-T753 PolarHBondContact O-N 3.08Å; T751-T753 VanDerWaalsContact C-N 3.32Å; T753-R755 PolarHBondContact O-N 3.35Å; T753-G756 PolarHBondContact O-N 3.43Å; T753-G761 VanDerWaalsContact CG2-CA 3.45Å; T753-A764 WeakPolarHBondContact OG1-CB 3.32Å
754	E	90.6	Very high	92.2	Very high	131 Å²	131	50.8 Å²	50.8	61%	0.612	26%	0.255	S	S	*	.	H	α-helix	trans	-62.3	-29.9	179.6	-70.3	172.7	160.9	0	0	112.8	V551 L750 G756	V551-E754 HydrophobicContact CG2-CG 4.44Å; L750-E754 HydrophobicContact CG-CG 4.46Å; L750-E754 WeakPolarHBondContact O-CG 3.41Å; L750-E754 PolarHBondContact O-N 3.41Å; E754-G756 VanDerWaalsContact C-N 3.33Å
755	R	90.8	Very high	92.1	Very high	195 Å²	195	43.9 Å²	43.9	74%	0.736	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-0	175.7	-68.4	178.6	-177.8	-169.4	1.2	113.9	T751 T753 V757	T751-R755 HydrophobicContact CG2-CG 4.35Å; T751-R755 WeakPolarHBondContact O-CB 3.33Å; T751-R755 VanDerWaalsContact O-CG 3.23Å; T751-R755 WeakPolarHBondContact O-CG 3.02Å; T751-R755 PolarHBondContact O-N 3.26Å; T753-R755 PolarHBondContact O-N 3.35Å; R755-V757 HydrophobicContact CB-CG2 4Å; R755-V757 PolarHBondContact O-N 3.19Å
756	G	86.9	Confident	91.8	Very high	64 Å²	64	45.1 Å²	45.1	66%	0.66	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.9	20.5	-176.9	0	0	0	0	0	114.4	R752 T753 E754	R752-G756 PolarHBondContact O-N 3.33Å; T753-G756 PolarHBondContact O-N 3.43Å; E754-G756 VanDerWaalsContact C-N 3.33Å
757	V	89.5	Confident	91.5	Very high	85 Å²	85	45.4 Å²	45.4	52%	0.515	24%	0.236	S	C	.	.			trans	-84.4	-30.3	176.5	179.9	0	0	0	0	111.1	R752 R755	R752-V757 HydrophobicContact CB-CB 4.45Å; R752-V757 PolarHBondContact O-N 2.79Å; R755-V757 HydrophobicContact CB-CG2 4Å; R755-V757 PolarHBondContact O-N 3.19Å
758	A	89.3	Confident	91.4	Very high	14 Å²	14	40 Å²	40	12%	0.116	21%	0.212	C	C	.	.	S	Bend	trans	-73.4	129.8	173.8	0	0	0	0	0	109.6	R752 Y760	R752-A758 HydrophobicContact CB-CB 4.43Å; R752-A758 PolarHBondContact O-N 3.25Å; A758-Y760 VanDerWaalsContact C-N 3.28Å
759	A	89.8	Confident	91.3	Very high	43 Å²	43	36.8 Å²	36.8	36%	0.355	20%	0.199	S	C	.	.	S	Bend	trans	-65	-36.8	172.7	0	0	0	0	0	109.6	R484 E720	R484-A759 PolarHBondContact NH1-O 2.86Å; R484-A759 PolarHBondContact NH2-O 2.83Å; E720-A759 WeakPolarHBondContact OE1-CB 3.44Å; E720-A759 PolarHBondContact OE1-N 3.36Å
760	Y	91.6	Very high	91.2	Very high	19 Å²	19	41.3 Å²	41.3	8%	0.075	22%	0.219	C	C	.	.			trans	-121.7	111.4	-177.9	-56.9	-89.6	0	0	0	110.5	R484 S716 P717 E720 A758 E762 S763	R484-Y760 VanDerWaalsContact NH1-CD1 3.27Å; S716-Y760 VanDerWaalsContact CB-CE2 3.46Å; P717-Y760 HydrophobicContact CB-CG 4.48Å; P717-Y760 HydrophobicContact CG-CD1 3.95Å; P717-Y760 HydrophobicContact CG-CG 4.01Å; E720-Y760 HydrophobicContact CB-CD2 4.46Å; E720-Y760 WeakPolarHBondContact OE2-CA 3.47Å; E720-Y760 WeakPolarHBondContact OE2-CB 3.3Å; E720-Y760 PolarHBondContact OE2-N 3.33Å; E720-Y760 VanDerWaalsContact OE2-O 3.08Å; A758-Y760 VanDerWaalsContact C-N 3.28Å; Y760-E762 PolarHBondContact O-N 2.79Å; Y760-S763 VanDerWaalsContact O-CB 3.32Å; Y760-S763 WeakPolarHBondContact O-CB 3.38Å; Y760-S763 PolarHBondContact O-N 2.86Å; Y760-S763 VanDerWaalsContact O-N 3.08Å; Y760-S763 PolarHBondContact O-OG 3.29Å
761	G	88.6	Confident	91.1	Very high	5 Å²	5	40.8 Å²	40.8	5%	0.052	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-67.6	-21.7	-174.6	0	0	0	0	0	113.8	T753 S763	T753-G761 VanDerWaalsContact CG2-CA 3.45Å; G761-S763 VanDerWaalsContact C-N 3.28Å; G761-S763 PolarHBondContact O-N 3.33Å
762	E	90.9	Very high	91.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-77.7	-6.1	175.7	70.3	-80.9	-163.9	0	0	114	N558 P717 Y760 A764 T765	N558-E762 HydrophobicContact CB-CB 3.8Å; N558-E762 HydrophobicContact CB-CG 4.3Å; P717-E762 HydrophobicContact CB-CG 3.74Å; P717-E762 HydrophobicContact CG-CG 3.78Å; P717-E762 WeakPolarHBondContact CG-OE1 3.47Å; Y760-E762 PolarHBondContact O-N 2.79Å; E762-A764 PolarHBondContact O-N 2.9Å; E762-T765 WeakPolarHBondContact O-CG2 3.11Å
763	S	93.1	Very high	91.1	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.021	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.3	-23.3	172.9	68.5	0	0	0	0	112.7	P717 E720 A721 Y760 G761 T765	P717-S763 WeakPolarHBondContact O-CA 3.16Å; P717-S763 WeakPolarHBondContact O-CB 3.29Å; E720-S763 WeakPolarHBondContact OE2-CB 3.44Å; E720-S763 PolarHBondContact OE2-OG 3.08Å; A721-S763 VanDerWaalsContact CB-O 3.31Å; A721-S763 WeakPolarHBondContact CB-O 3.47Å; Y760-S763 VanDerWaalsContact O-CB 3.32Å; Y760-S763 WeakPolarHBondContact O-CB 3.38Å; Y760-S763 PolarHBondContact O-N 2.86Å; Y760-S763 VanDerWaalsContact O-N 3.08Å; Y760-S763 PolarHBondContact O-OG 3.29Å; G761-S763 VanDerWaalsContact C-N 3.28Å; G761-S763 PolarHBondContact O-N 3.33Å; S763-T765 VanDerWaalsContact C-N 3.31Å; S763-T765 PolarHBondContact O-N 2.68Å
764	A	93.1	Very high	91.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-86.4	18.7	-176	0	0	0	0	0	115	F555 F746 L749 T753 E762	F555-A764 HydrophobicContact CZ-CB 4.46Å; F746-A764 WeakPolarHBondContact CE2-O 3.01Å; L749-A764 HydrophobicContact CB-CB 3.92Å; T753-A764 WeakPolarHBondContact OG1-CB 3.32Å; E762-A764 PolarHBondContact O-N 2.9Å
765	T	91.3	Very high	91.3	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	17%	0.171	C	C	.	.			trans	-70.4	140.2	179	64.6	0	0	0	0	111.9	F555 E762 S763 Y767 L768 V769	F555-T765 HydrophobicContact CD1-CG2 3.76Å; F555-T765 HydrophobicContact CD2-CG2 4.28Å; F555-T765 HydrophobicContact CE1-CG2 3.69Å; F555-T765 HydrophobicContact CE2-CG2 4.22Å; F555-T765 HydrophobicContact CG-CG2 4.07Å; F555-T765 HydrophobicContact CZ-CG2 3.93Å; E762-T765 WeakPolarHBondContact O-CG2 3.11Å; S763-T765 VanDerWaalsContact C-N 3.31Å; S763-T765 PolarHBondContact O-N 2.68Å; T765-Y767 PolarHBondContact O-N 3.44Å; T765-Y767 VanDerWaalsContact O-N 3.12Å; T765-L768 PolarHBondContact O-N 2.82Å; T765-L768 VanDerWaalsContact O-N 3.14Å; T765-L768 WeakPolarHBondContact OG1-CD1 3.39Å; T765-L768 VanDerWaalsContact OG1-CG 3.27Å; T765-L768 WeakPolarHBondContact OG1-CG 3.44Å; T765-L768 PolarHBondContact OG1-N 2.9Å; T765-V769 PolarHBondContact O-N 3.07Å; T765-V769 VanDerWaalsContact O-N 3.16Å
766	H	89.9	Confident	91.4	Very high	27 Å²	27	22.6 Å²	22.6	13%	0.125	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-20.6	176.7	-178.8	-115.2	0	0	0	113.6	Q357 F746 K770	Q357-H766 WeakPolarHBondContact O-CB 3.38Å; Q357-H766 PolarHBondContact O-N 3.24Å; Q357-H766 VanDerWaalsContact O-N 3.14Å; F746-H766 HydrophobicContact CD2-CB 3.83Å; F746-H766 HydrophobicContact CE2-CB 3.82Å; F746-H766 HydrophobicContact CG-CB 4.46Å; F746-H766 HydrophobicContact CZ-CB 4.47Å; H766-K770 WeakPolarHBondContact CE1-CE 3.38Å; H766-K770 WeakPolarHBondContact O-CG 3.25Å; H766-K770 PolarHBondContact O-N 2.9Å
767	Y	88.7	Confident	91.7	Very high	14 Å²	14	21.9 Å²	21.9	6%	0.055	12%	0.116	C	C	.	.	H	α-helix	trans	-67.3	-52.6	171.6	169.5	-96.5	0	0	0	111.5	F314 T765 V769 K770 N771	F314-Y767 HydrophobicContact CD1-CD2 4.47Å; F314-Y767 AromaticContact CD1-CE2 3.8Å; F314-Y767 HydrophobicContact CD1-CE2 3.8Å; F314-Y767 AromaticContact CE1-CD2 3.49Å; F314-Y767 HydrophobicContact CE1-CD2 3.49Å; F314-Y767 VanDerWaalsContact CE1-CD2 3.49Å; F314-Y767 AromaticContact CE1-CE2 3.24Å; F314-Y767 HydrophobicContact CE1-CE2 3.24Å; F314-Y767 AromaticContact CZ-CD2 3.68Å; F314-Y767 HydrophobicContact CZ-CD2 3.68Å; F314-Y767 AromaticContact CZ-CE2 3.73Å; F314-Y767 HydrophobicContact CZ-CE2 3.73Å; T765-Y767 PolarHBondContact O-N 3.44Å; T765-Y767 VanDerWaalsContact O-N 3.12Å; Y767-V769 VanDerWaalsContact C-N 3.31Å; Y767-V769 PolarHBondContact O-N 3.35Å; Y767-K770 PolarHBondContact O-N 3.11Å; Y767-K770 VanDerWaalsContact O-N 3.15Å; Y767-N771 VanDerWaalsContact CE1-ND2 3.26Å; Y767-N771 WeakPolarHBondContact CE1-ND2 3.47Å; Y767-N771 PolarHBondContact O-N 3.45Å; Y767-N771 VanDerWaalsContact O-N 3.1Å; Y767-N771 PolarHBondContact OH-ND2 3.45Å; Y767-N771 VanDerWaalsContact OH-ND2 3.16Å
768	L	91.8	Very high	91.8	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-58.1	-45.3	178.1	-71.9	173.4	0	0	0	110.7	E620 V718 A721 T765 K770 N771 T772	E620-L768 WeakPolarHBondContact OE2-CD2 3.24Å; V718-L768 HydrophobicContact CG1-CD2 4.31Å; V718-L768 HydrophobicContact CG2-CD2 4.04Å; A721-L768 HydrophobicContact CB-CB 4.17Å; A721-L768 HydrophobicContact CB-CD1 4.21Å; T765-L768 PolarHBondContact O-N 2.82Å; T765-L768 VanDerWaalsContact O-N 3.14Å; T765-L768 WeakPolarHBondContact OG1-CD1 3.39Å; T765-L768 VanDerWaalsContact OG1-CG 3.27Å; T765-L768 WeakPolarHBondContact OG1-CG 3.44Å; T765-L768 PolarHBondContact OG1-N 2.9Å; L768-K770 VanDerWaalsContact C-N 3.29Å; L768-K770 PolarHBondContact O-N 3.07Å; L768-N771 PolarHBondContact O-N 2.88Å; L768-N771 VanDerWaalsContact O-N 3.08Å; L768-T772 PolarHBondContact O-N 3.14Å; L768-T772 PolarHBondContact O-OG1 3.46Å
769	V	93.7	Very high	91.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-53.9	-45.7	177	174.2	0	0	0	0	112.1	T742 L745 F746 L749 T765 Y767 T772 V773	T742-V769 HydrophobicContact CG2-CG1 3.93Å; L745-V769 HydrophobicContact CB-CG1 4.19Å; L745-V769 HydrophobicContact CD2-CG1 3.9Å; L745-V769 HydrophobicContact CG-CG1 3.9Å; F746-V769 HydrophobicContact CB-CG1 4.19Å; F746-V769 HydrophobicContact CB-CG2 4.15Å; F746-V769 HydrophobicContact CD2-CG2 4.18Å; L749-V769 HydrophobicContact CD1-CG2 3.77Å; T765-V769 PolarHBondContact O-N 3.07Å; T765-V769 VanDerWaalsContact O-N 3.16Å; Y767-V769 VanDerWaalsContact C-N 3.31Å; Y767-V769 PolarHBondContact O-N 3.35Å; V769-T772 PolarHBondContact O-N 3.31Å; V769-V773 VanDerWaalsContact O-CG2 3.28Å; V769-V773 WeakPolarHBondContact O-CG2 3.13Å; V769-V773 PolarHBondContact O-N 2.84Å
770	K	91.6	Very high	91.7	Very high	100 Å²	100	19.3 Å²	19.3	44%	0.435	9%	0.092	S	C	.	.	H	α-helix	trans	-64.9	-41	179.1	-80.2	-176	165.7	-172.9	0	112.6	T742 H766 Y767 L768 K774	T742-K770 HydrophobicContact CG2-CG 3.97Å; H766-K770 WeakPolarHBondContact CE1-CE 3.38Å; H766-K770 WeakPolarHBondContact O-CG 3.25Å; H766-K770 PolarHBondContact O-N 2.9Å; Y767-K770 PolarHBondContact O-N 3.11Å; Y767-K770 VanDerWaalsContact O-N 3.15Å; L768-K770 VanDerWaalsContact C-N 3.29Å; L768-K770 PolarHBondContact O-N 3.07Å; K770-K774 WeakPolarHBondContact O-CB 3.25Å; K770-K774 PolarHBondContact O-N 3.21Å
771	N	92.2	Very high	91.7	Very high	13 Å²	13	18.4 Å²	18.4	7%	0.07	9%	0.088	C	C	.	.	H	α-helix	trans	-68.3	-41	177.2	-74.5	-4.5	0	0	0	111.2	N619 E620 Y767 L768 V773 K774 T775	N619-N771 PolarHBondContact O-ND2 3.34Å; E620-N771 VanDerWaalsContact CD-ND2 3.32Å; E620-N771 WeakPolarHBondContact OE1-CB 3.35Å; E620-N771 PolarHBondContact OE1-ND2 3.39Å; E620-N771 PolarHBondContact OE2-ND2 3.38Å; Y767-N771 VanDerWaalsContact CE1-ND2 3.26Å; Y767-N771 WeakPolarHBondContact CE1-ND2 3.47Å; Y767-N771 PolarHBondContact O-N 3.45Å; Y767-N771 VanDerWaalsContact O-N 3.1Å; Y767-N771 PolarHBondContact OH-ND2 3.45Å; Y767-N771 VanDerWaalsContact OH-ND2 3.16Å; L768-N771 PolarHBondContact O-N 2.88Å; L768-N771 VanDerWaalsContact O-N 3.08Å; N771-V773 PolarHBondContact O-N 2.86Å; N771-K774 CarbonylContact O-C 3.59Å; N771-K774 WeakPolarHBondContact O-CA 3.34Å; N771-K774 WeakPolarHBondContact O-CB 3.37Å; N771-K774 PolarHBondContact O-N 3.46Å; N771-K774 VanDerWaalsContact O-N 3.11Å; N771-T775 PolarHBondContact O-N 2.93Å; N771-T775 PolarHBondContact O-OG1 3.16Å; N771-T775 VanDerWaalsContact O-OG1 3.05Å
772	T	94.2	Very high	91.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.9	-45.9	174.8	-53.4	0	0	0	0	111.8	Y722 A725 L768 V769 K774 T775 F776	Y722-T772 HydrophobicContact CD1-CG2 3.93Å; Y722-T772 HydrophobicContact CD2-CG2 4.24Å; Y722-T772 VanDerWaalsContact CD2-OG1 3.29Å; Y722-T772 WeakPolarHBondContact CD2-OG1 3.28Å; Y722-T772 HydrophobicContact CE1-CG2 4.22Å; Y722-T772 WeakPolarHBondContact CE2-OG1 3.35Å; Y722-T772 HydrophobicContact CG-CG2 3.99Å; A725-T772 HydrophobicContact CB-CG2 3.35Å; L768-T772 PolarHBondContact O-N 3.14Å; L768-T772 PolarHBondContact O-OG1 3.46Å; V769-T772 PolarHBondContact O-N 3.31Å; T772-K774 VanDerWaalsContact C-N 3.28Å; T772-K774 PolarHBondContact O-N 3.04Å; T772-T775 PolarHBondContact O-N 2.77Å; T772-F776 HydrophobicContact CG2-CD1 4.18Å; T772-F776 HydrophobicContact CG2-CE1 3.91Å; T772-F776 HydrophobicContact CG2-CE2 4.34Å; T772-F776 HydrophobicContact CG2-CZ 4Å; T772-F776 WeakPolarHBondContact O-CB 3.49Å; T772-F776 WeakPolarHBondContact O-CD1 3.5Å; T772-F776 WeakPolarHBondContact O-CG 3.46Å; T772-F776 PolarHBondContact O-N 2.98Å
773	V	94.2	Very high	91.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	11%	0.112	C	C	.	.	H	α-helix	trans	-58.5	-43.8	174.3	173.7	0	0	0	0	110.5	F741 L745 V769 N771 F776 K777 L793	F741-V773 HydrophobicContact CD1-CG2 3.86Å; F741-V773 HydrophobicContact CE1-CG2 3.88Å; L745-V773 HydrophobicContact CD2-CG2 4.06Å; V769-V773 VanDerWaalsContact O-CG2 3.28Å; V769-V773 WeakPolarHBondContact O-CG2 3.13Å; V769-V773 PolarHBondContact O-N 2.84Å; N771-V773 PolarHBondContact O-N 2.86Å; V773-F776 PolarHBondContact O-N 2.92Å; V773-K777 WeakPolarHBondContact O-CG 3.44Å; V773-K777 PolarHBondContact O-N 2.88Å; V773-L793 HydrophobicContact CG1-CD1 4.05Å
774	K	92.6	Very high	91.6	Very high	75 Å²	75	27.8 Å²	27.8	33%	0.326	13%	0.128	S	C	.	.	H	α-helix	trans	-62.5	-48.1	177.7	-171.1	-175.1	179.3	-132.2	0	111.8	N619 K770 N771 T772 F776 K777 E778	N619-K774 PolarHBondContact OD1-NZ 2.94Å; K770-K774 WeakPolarHBondContact O-CB 3.25Å; K770-K774 PolarHBondContact O-N 3.21Å; N771-K774 CarbonylContact O-C 3.59Å; N771-K774 WeakPolarHBondContact O-CA 3.34Å; N771-K774 WeakPolarHBondContact O-CB 3.37Å; N771-K774 PolarHBondContact O-N 3.46Å; N771-K774 VanDerWaalsContact O-N 3.11Å; T772-K774 VanDerWaalsContact C-N 3.28Å; T772-K774 PolarHBondContact O-N 3.04Å; K774-F776 VanDerWaalsContact C-N 3.34Å; K774-F776 PolarHBondContact O-N 3.39Å; K774-K777 WeakPolarHBondContact O-CB 3.49Å; K774-K777 PolarHBondContact O-N 3.31Å; K774-E778 WeakPolarHBondContact CE-OE1 3.32Å; K774-E778 IonicContact NZ-OE1 3.16Å; K774-E778 PolarHBondContact NZ-OE1 3.34Å; K774-E778 WeakPolarHBondContact O-CG 3.33Å; K774-E778 PolarHBondContact O-N 2.79Å
775	T	93.1	Very high	91.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.4	-40.7	178	-56.7	0	0	0	0	111.3	L413 F616 N619 Y722 N771 T772 K777 E778 L779	L413-T775 HydrophobicContact CD2-CG2 3.88Å; F616-T775 HydrophobicContact CE2-CG2 4.48Å; N619-T775 PolarHBondContact ND2-OG1 2.81Å; Y722-T775 HydrophobicContact CE1-CG2 3.86Å; Y722-T775 PolarHBondContact OH-OG1 3.49Å; N771-T775 PolarHBondContact O-N 2.93Å; N771-T775 PolarHBondContact O-OG1 3.16Å; N771-T775 VanDerWaalsContact O-OG1 3.05Å; T772-T775 PolarHBondContact O-N 2.77Å; T775-K777 VanDerWaalsContact C-N 3.29Å; T775-K777 PolarHBondContact O-N 3.42Å; T775-E778 PolarHBondContact O-N 2.8Å; T775-L779 VanDerWaalsContact O-CB 3.25Å; T775-L779 WeakPolarHBondContact O-CB 3.47Å; T775-L779 PolarHBondContact O-N 3.13Å
776	F	94.2	Very high	90.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-67.1	-29	177	-79.7	19	0	0	0	112.7	Y722 A725 A726 V729 T772 V773 K774 G780 V781 L782 L808	Y722-F776 HydrophobicContact CD1-CE1 4.08Å; A725-F776 HydrophobicContact CB-CE2 3.85Å; A725-F776 HydrophobicContact CB-CZ 4Å; A726-F776 HydrophobicContact CB-CZ 4.19Å; V729-F776 HydrophobicContact CG2-CD2 4.05Å; V729-F776 HydrophobicContact CG2-CE2 3.98Å; T772-F776 HydrophobicContact CG2-CD1 4.18Å; T772-F776 HydrophobicContact CG2-CE1 3.91Å; T772-F776 HydrophobicContact CG2-CE2 4.34Å; T772-F776 HydrophobicContact CG2-CZ 4Å; T772-F776 WeakPolarHBondContact O-CB 3.49Å; T772-F776 WeakPolarHBondContact O-CD1 3.5Å; T772-F776 WeakPolarHBondContact O-CG 3.46Å; T772-F776 PolarHBondContact O-N 2.98Å; V773-F776 PolarHBondContact O-N 2.92Å; K774-F776 VanDerWaalsContact C-N 3.34Å; K774-F776 PolarHBondContact O-N 3.39Å; F776-G780 PolarHBondContact O-N 3.33Å; F776-V781 HydrophobicContact CB-CB 4.09Å; F776-V781 HydrophobicContact CD2-CG1 4.18Å; F776-V781 HydrophobicContact CG-CB 4.33Å; F776-V781 HydrophobicContact CG-CG1 4.5Å; F776-V781 HydrophobicContact CG-CG2 4.49Å; F776-V781 WeakPolarHBondContact O-CA 3.38Å; F776-V781 WeakPolarHBondContact O-CB 3.46Å; F776-V781 PolarHBondContact O-N 2.77Å; F776-L782 HydrophobicContact CB-CD1 3.85Å; F776-L782 HydrophobicContact CB-CG 4.1Å; F776-L782 HydrophobicContact CD2-CD1 4.48Å; F776-L782 PolarHBondContact O-N 2.96Å; F776-L808 HydrophobicContact CZ-CD2 4.33Å
777	K	92.4	Very high	90.4	Very high	50 Å²	50	45.7 Å²	45.7	22%	0.217	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-46.7	168.9	-70.5	-166.9	-64.7	-179.3	0	111.7	E738 V773 K774 T775 L779 G780 L782 E784 L793	E738-K777 VanDerWaalsContact CD-NZ 3.34Å; E738-K777 IonicContact OE1-NZ 3.65Å; E738-K777 PolarHBondContact OE1-NZ 3.34Å; E738-K777 IonicContact OE2-NZ 3.56Å; E738-K777 PolarHBondContact OE2-NZ 2.89Å; V773-K777 WeakPolarHBondContact O-CG 3.44Å; V773-K777 PolarHBondContact O-N 2.88Å; K774-K777 WeakPolarHBondContact O-CB 3.49Å; K774-K777 PolarHBondContact O-N 3.31Å; T775-K777 VanDerWaalsContact C-N 3.29Å; T775-K777 PolarHBondContact O-N 3.42Å; K777-L779 VanDerWaalsContact C-N 3.31Å; K777-L779 PolarHBondContact O-N 2.98Å; K777-G780 PolarHBondContact O-N 3.41Å; K777-G780 VanDerWaalsContact O-N 3.14Å; K777-L782 HydrophobicContact CG-CB 4.07Å; K777-E784 HydrophobicContact CD-CB 4.34Å; K777-E784 IonicContact NZ-OE2 2.79Å; K777-E784 PolarHBondContact NZ-OE2 3.15Å; K777-L793 HydrophobicContact CD-CD2 3.79Å; K777-L793 HydrophobicContact CG-CD2 4.4Å
778	E	91	Very high	89.7	Confident	75 Å²	75	52.8 Å²	52.8	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-29.5	-179.1	-70.5	173.4	179.8	0	0	113.2	L413 E414 N619 K774 T775 G780	L413-E778 HydrophobicContact CB-CB 4.25Å; L413-E778 HydrophobicContact CD2-CB 3.91Å; E414-E778 PolarHBondContact N-O 3.43Å; N619-E778 PolarHBondContact ND2-OE2 3.38Å; K774-E778 WeakPolarHBondContact CE-OE1 3.32Å; K774-E778 IonicContact NZ-OE1 3.16Å; K774-E778 PolarHBondContact NZ-OE1 3.34Å; K774-E778 WeakPolarHBondContact O-CG 3.33Å; K774-E778 PolarHBondContact O-N 2.79Å; T775-E778 PolarHBondContact O-N 2.8Å; E778-G780 VanDerWaalsContact C-N 3.28Å
779	L	89.3	Confident	88.6	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.7	174.5	-169.6	62.8	0	0	0	112.9	L413 L417 M418 I421 F616 T775 K777 V781 L808	L413-L779 HydrophobicContact CD2-CB 4.3Å; L413-L779 HydrophobicContact CG-CD1 4.33Å; L417-L779 HydrophobicContact CB-CD1 3.8Å; L417-L779 HydrophobicContact CD1-CD1 4.14Å; M418-L779 HydrophobicContact SD-CD1 4.36Å; M418-L779 HydrophobicContact SD-CG 4.41Å; I421-L779 HydrophobicContact CD1-CD1 3.97Å; I421-L779 HydrophobicContact CD1-CD2 3.94Å; I421-L779 HydrophobicContact CD1-CG 4.46Å; F616-L779 HydrophobicContact CE2-CD2 4.21Å; T775-L779 VanDerWaalsContact O-CB 3.25Å; T775-L779 WeakPolarHBondContact O-CB 3.47Å; T775-L779 PolarHBondContact O-N 3.13Å; K777-L779 VanDerWaalsContact C-N 3.31Å; K777-L779 PolarHBondContact O-N 2.98Å; L779-V781 HydrophobicContact CB-CG2 4.24Å; L779-V781 HydrophobicContact CD2-CG2 3.88Å; L779-V781 HydrophobicContact CG-CG2 4.14Å; L779-L808 HydrophobicContact CD2-CD1 3.84Å
780	G	88.9	Confident	88.1	Confident	13 Å²	13	64.9 Å²	64.9	13%	0.134	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	15.3	-177	0	0	0	0	0	114.5	F776 K777 E778 S796	F776-G780 PolarHBondContact O-N 3.33Å; K777-G780 PolarHBondContact O-N 3.41Å; K777-G780 VanDerWaalsContact O-N 3.14Å; E778-G780 VanDerWaalsContact C-N 3.28Å; G780-S796 WeakPolarHBondContact O-CB 3.2Å; G780-S796 PolarHBondContact O-OG 3.25Å
781	V	90.1	Very high	87.9	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.277	C	S	.	.	S	Bend	trans	-71	-44.5	172.4	-178.3	0	0	0	0	110.6	V729 F776 L779 S796 F799 L808	V729-V781 HydrophobicContact CG1-CG1 4.27Å; F776-V781 HydrophobicContact CB-CB 4.09Å; F776-V781 HydrophobicContact CD2-CG1 4.18Å; F776-V781 HydrophobicContact CG-CB 4.33Å; F776-V781 HydrophobicContact CG-CG1 4.5Å; F776-V781 HydrophobicContact CG-CG2 4.49Å; F776-V781 WeakPolarHBondContact O-CA 3.38Å; F776-V781 WeakPolarHBondContact O-CB 3.46Å; F776-V781 PolarHBondContact O-N 2.77Å; L779-V781 HydrophobicContact CB-CG2 4.24Å; L779-V781 HydrophobicContact CD2-CG2 3.88Å; L779-V781 HydrophobicContact CG-CG2 4.14Å; V781-S796 PolarHBondContact O-N 3.48Å; V781-F799 HydrophobicContact CB-CD2 4.19Å; V781-F799 HydrophobicContact CB-CE2 4.31Å; V781-F799 HydrophobicContact CB-CG 4.43Å; V781-F799 HydrophobicContact CG1-CB 4.43Å; V781-F799 HydrophobicContact CG1-CD1 4.45Å; V781-F799 HydrophobicContact CG1-CD2 4.44Å; V781-F799 HydrophobicContact CG1-CG 4.19Å; V781-F799 HydrophobicContact CG2-CD1 4.43Å; V781-F799 HydrophobicContact CG2-CD2 4.04Å; V781-F799 HydrophobicContact CG2-CE1 4.16Å; V781-F799 HydrophobicContact CG2-CE2 3.7Å; V781-F799 HydrophobicContact CG2-CG 4.37Å; V781-F799 HydrophobicContact CG2-CZ 3.77Å; V781-L808 HydrophobicContact CG1-CD2 4.23Å; V781-L808 HydrophobicContact CG2-CD2 3.75Å
782	L	91.8	Very high	87.8	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.021	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.6	180	-62.2	173.5	0	0	0	109.7	L732 F741 F776 K777 L793 L795	L732-L782 HydrophobicContact CD2-CD2 3.87Å; F741-L782 HydrophobicContact CE1-CD1 3.89Å; F741-L782 HydrophobicContact CZ-CD1 4.05Å; F741-L782 HydrophobicContact CZ-CD2 4.43Å; F776-L782 HydrophobicContact CB-CD1 3.85Å; F776-L782 HydrophobicContact CB-CG 4.1Å; F776-L782 HydrophobicContact CD2-CD1 4.48Å; F776-L782 PolarHBondContact O-N 2.96Å; K777-L782 HydrophobicContact CG-CB 4.07Å; L782-L793 HydrophobicContact CD1-CD1 4.31Å; L782-L795 HydrophobicContact CD2-CD2 4.17Å
783	K	90.8	Very high	87.7	Confident	121 Å²	121	61.3 Å²	61.3	53%	0.526	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	127.1	174.1	-170.5	175.7	-177.5	177.5	0	109.7	L793 E794	K783-L793 WeakPolarHBondContact O-CA 3.42Å; K783-E794 HydrophobicContact CB-CG 4Å; K783-E794 PolarHBondContact N-O 3.36Å; K783-E794 PolarHBondContact O-N 3.02Å
784	E	89.8	Confident	87.6	Confident	79 Å²	79	63 Å²	63	37%	0.369	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	122	174.8	179	172.5	160.6	0	0	110.1	K777 R786 S791 L793	K777-E784 HydrophobicContact CD-CB 4.34Å; K777-E784 IonicContact NZ-OE2 2.79Å; K777-E784 PolarHBondContact NZ-OE2 3.15Å; E784-R786 IonicContact OE1-NE 3.69Å; E784-S791 VanDerWaalsContact CD-OG 3.32Å; E784-S791 VanDerWaalsContact CG-OG 3.32Å; E784-S791 WeakPolarHBondContact CG-OG 3.44Å; E784-S791 PolarHBondContact OE1-OG 2.84Å; E784-L793 HydrophobicContact CB-CD2 4.28Å
785	R	86.4	Confident	87.6	Confident	119 Å²	119	60.6 Å²	60.6	45%	0.449	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.9	169.7	-171.7	-173.7	-65.3	-159.8	4.6	108.9	E787 V792 E794	R785-E787 WeakPolarHBondContact CD-OE1 3.44Å; R785-E787 HydrophobicContact CG-CG 4.19Å; R785-E787 IonicContact NH1-OE1 3.42Å; R785-V792 PolarHBondContact N-O 2.95Å; R785-V792 PolarHBondContact O-N 3.31Å; R785-E794 IonicContact CZ-OE1 3.43Å; R785-E794 IonicContact NE-OE1 3.87Å; R785-E794 PolarHBondContact NE-OE1 3.06Å; R785-E794 IonicContact NH2-OE1 3.58Å; R785-E794 PolarHBondContact NH2-OE1 2.6Å; R785-E794 IonicContact NH2-OE2 3.93Å; R785-E794 PolarHBondContact NH2-OE2 3.31Å
786	R	82.7	Confident	87.5	Confident	196 Å²	196	61.2 Å²	61.2	74%	0.74	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	113	175.1	-71.2	-174.5	178.7	-179.2	1.5	110.2	E784 V790	E784-R786 IonicContact OE1-NE 3.69Å; R786-V790 WeakPolarHBondContact CA-O 3.5Å
787	E	79.1	Confident	87.1	Confident	90 Å²	90	65.4 Å²	65.4	42%	0.421	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.3	174.5	-65.8	-176.2	175.6	0	0	108.8	R785 R789 V790 V792	R785-E787 WeakPolarHBondContact CD-OE1 3.44Å; R785-E787 HydrophobicContact CG-CG 4.19Å; R785-E787 IonicContact NH1-OE1 3.42Å; E787-R789 PolarHBondContact O-N 2.7Å; E787-R789 VanDerWaalsContact O-N 3.07Å; E787-V790 PolarHBondContact N-O 3.3Å; E787-V790 WeakPolarHBondContact O-CA 3.49Å; E787-V790 WeakPolarHBondContact O-CB 3.33Å; E787-V790 PolarHBondContact O-N 3.41Å; E787-V792 HydrophobicContact CB-CG2 4.22Å; E787-V792 HydrophobicContact CG-CG2 4.49Å
788	N	73.3	Confident	86.9	Confident	163 Å²	163	65.4 Å²	65.4	87%	0.872	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	40.1	177.2	-62.7	-26.3	0	0	0	114.7	V790	N788-V790 PolarHBondContact O-N 2.84Å
789	R	70.1	Confident	86.7	Confident	192 Å²	192	61.9 Å²	61.9	73%	0.725	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	10	-176.5	-51.3	178.5	174.9	178.5	-3.5	115.3	A273 E787	A273-R789 PolarHBondContact O-NH1 3.25Å; A273-R789 PolarHBondContact O-NH2 3.34Å; E787-R789 PolarHBondContact O-N 2.7Å; E787-R789 VanDerWaalsContact O-N 3.07Å
790	V	82.3	Confident	86.6	Confident	69 Å²	69	68 Å²	68	42%	0.418	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	131.6	172.6	-176.8	0	0	0	0	109.1	P737 R786 E787 N788 V792	P737-V790 HydrophobicContact CB-CG1 3.95Å; P737-V790 HydrophobicContact CG-CG1 4.45Å; R786-V790 WeakPolarHBondContact CA-O 3.5Å; E787-V790 PolarHBondContact N-O 3.3Å; E787-V790 WeakPolarHBondContact O-CA 3.49Å; E787-V790 WeakPolarHBondContact O-CB 3.33Å; E787-V790 PolarHBondContact O-N 3.41Å; N788-V790 PolarHBondContact O-N 2.84Å; V790-V792 PolarHBondContact O-N 2.82Å
791	S	86.7	Confident	86.7	Confident	22 Å²	22	70.2 Å²	70.2	15%	0.154	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	115.7	169.3	172	0	0	0	0	108.1	P737 E738 E784	P737-S791 CarbonylContact C-O 3.59Å; P737-S791 WeakPolarHBondContact CA-O 3.42Å; E738-S791 PolarHBondContact N-O 3.32Å; E738-S791 PolarHBondContact OE2-OG 3.47Å; E784-S791 VanDerWaalsContact CD-OG 3.32Å; E784-S791 VanDerWaalsContact CG-OG 3.32Å; E784-S791 WeakPolarHBondContact CG-OG 3.44Å; E784-S791 PolarHBondContact OE1-OG 2.84Å
792	V	91.1	Very high	86.6	Confident	15 Å²	15	75.9 Å²	75.9	9%	0.091	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.3	175.5	-177	0	0	0	0	107.8	P735 M736 R785 E787 V790	P735-V792 HydrophobicContact CB-CG1 3.65Å; M736-V792 CarbonylContact O-C 3.58Å; M736-V792 WeakPolarHBondContact O-CA 3.37Å; R785-V792 PolarHBondContact N-O 2.95Å; R785-V792 PolarHBondContact O-N 3.31Å; E787-V792 HydrophobicContact CB-CG2 4.22Å; E787-V792 HydrophobicContact CG-CG2 4.49Å; V790-V792 PolarHBondContact O-N 2.82Å
793	L	92.1	Very high	86.6	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.1	178.9	-55.4	-176.8	0	0	0	109.8	P735 M736 E738 F741 V773 K777 L782 K783 E784	P735-L793 WeakPolarHBondContact CA-O 3.48Å; M736-L793 PolarHBondContact N-O 3.01Å; M736-L793 PolarHBondContact O-N 3.22Å; E738-L793 HydrophobicContact CB-CD1 3.96Å; E738-L793 HydrophobicContact CB-CD2 4.29Å; E738-L793 HydrophobicContact CB-CG 3.92Å; E738-L793 HydrophobicContact CG-CD1 4.01Å; E738-L793 HydrophobicContact CG-CG 4.43Å; F741-L793 HydrophobicContact CB-CD1 4.05Å; F741-L793 HydrophobicContact CD1-CD1 4.02Å; F741-L793 HydrophobicContact CG-CD1 4.05Å; V773-L793 HydrophobicContact CG1-CD1 4.05Å; K777-L793 HydrophobicContact CD-CD2 3.79Å; K777-L793 HydrophobicContact CG-CD2 4.4Å; L782-L793 HydrophobicContact CD1-CD1 4.31Å; K783-L793 WeakPolarHBondContact O-CA 3.42Å; E784-L793 HydrophobicContact CB-CD2 4.28Å
794	E	92.6	Very high	86.5	Confident	38 Å²	38	73.9 Å²	73.9	18%	0.178	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	159.9	171.7	65.6	-174.5	171.1	0	0	110.4	P735 K783 R785	P735-E794 HydrophobicContact CB-CB 4.16Å; P735-E794 HydrophobicContact CG-CB 4.13Å; K783-E794 HydrophobicContact CB-CG 4Å; K783-E794 PolarHBondContact N-O 3.36Å; K783-E794 PolarHBondContact O-N 3.02Å; R785-E794 IonicContact CZ-OE1 3.43Å; R785-E794 IonicContact NE-OE1 3.87Å; R785-E794 PolarHBondContact NE-OE1 3.06Å; R785-E794 IonicContact NH2-OE1 3.58Å; R785-E794 PolarHBondContact NH2-OE1 2.6Å; R785-E794 IonicContact NH2-OE2 3.93Å; R785-E794 PolarHBondContact NH2-OE2 3.31Å
795	L	91.6	Very high	86.6	Confident	25 Å²	25	71.5 Å²	71.5	13%	0.131	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.5	172.2	-70.5	172.9	0	0	0	110.2	V729 L732 L782 Q800	V729-L795 HydrophobicContact CG1-CD2 3.45Å; V729-L795 VanDerWaalsContact CG1-CD2 3.45Å; L732-L795 HydrophobicContact CB-CD1 4.34Å; L732-L795 HydrophobicContact CB-CG 4.41Å; L732-L795 HydrophobicContact CD2-CD2 4.08Å; L732-L795 HydrophobicContact CD2-CG 3.97Å; L732-L795 HydrophobicContact CG-CG 4.4Å; L732-L795 WeakPolarHBondContact O-CD1 3.44Å; L782-L795 HydrophobicContact CD2-CD2 4.17Å; L795-Q800 HydrophobicContact CB-CG 4.42Å
796	S	90.4	Very high	86.9	Confident	13 Å²	13	68.9 Å²	68.9	9%	0.091	35%	0.35	C	S	.	.			trans	-66.2	155.2	170.4	70.5	0	0	0	0	110.9	G780 V781 T798 F799 Q800	G780-S796 WeakPolarHBondContact O-CB 3.2Å; G780-S796 PolarHBondContact O-OG 3.25Å; V781-S796 PolarHBondContact O-N 3.48Å; S796-T798 PolarHBondContact O-N 3.34Å; S796-T798 VanDerWaalsContact O-N 3.16Å; S796-F799 CarbonylContact O-C 3.6Å; S796-F799 PolarHBondContact O-N 3.23Å; S796-F799 PolarHBondContact OG-N 3.5Å; S796-Q800 WeakPolarHBondContact O-CG 3.41Å; S796-Q800 PolarHBondContact O-N 2.89Å
797	S	87.1	Confident	87.3	Confident	90 Å²	90	63.2 Å²	63.2	63%	0.629	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-53.8	-35	176.2	46.3	0	0	0	0	112.3	F799 Q800 P801	S797-F799 VanDerWaalsContact C-N 3.33Å; S797-F799 PolarHBondContact O-N 2.79Å; S797-Q800 PolarHBondContact O-N 3.43Å; S797-P801 WeakPolarHBondContact O-CD 3.43Å
798	T	86.8	Confident	88	Confident	50 Å²	50	59 Å²	59	31%	0.307	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-66	-32.9	179.3	-45.4	0	0	0	0	112.7	M418 I422 S796 P801 N804	M418-T798 HydrophobicContact CE-CG2 3.63Å; I422-T798 HydrophobicContact CD1-CG2 3.37Å; S796-T798 PolarHBondContact O-N 3.34Å; S796-T798 VanDerWaalsContact O-N 3.16Å; T798-P801 WeakPolarHBondContact O-CD 3.48Å; T798-N804 WeakPolarHBondContact O-CB 3.32Å; T798-N804 PolarHBondContact O-ND2 3.31Å
799	F	88.4	Confident	88.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-105.8	6.8	-178.8	-72.5	-85	0	0	0	114	M418 I422 V781 S796 S797 N804 R805 L808	M418-F799 HydrophobicContact CE-CE2 3.59Å; M418-F799 HydrophobicContact CE-CZ 3.98Å; M418-F799 HydrophobicContact SD-CE2 3.83Å; M418-F799 HydrophobicContact SD-CZ 3.84Å; I422-F799 HydrophobicContact CD1-CE1 4.33Å; I422-F799 HydrophobicContact CD1-CE2 4.29Å; I422-F799 HydrophobicContact CD1-CZ 3.94Å; V781-F799 HydrophobicContact CB-CD2 4.19Å; V781-F799 HydrophobicContact CB-CE2 4.31Å; V781-F799 HydrophobicContact CB-CG 4.43Å; V781-F799 HydrophobicContact CG1-CB 4.43Å; V781-F799 HydrophobicContact CG1-CD1 4.45Å; V781-F799 HydrophobicContact CG1-CD2 4.44Å; V781-F799 HydrophobicContact CG1-CG 4.19Å; V781-F799 HydrophobicContact CG2-CD1 4.43Å; V781-F799 HydrophobicContact CG2-CD2 4.04Å; V781-F799 HydrophobicContact CG2-CE1 4.16Å; V781-F799 HydrophobicContact CG2-CE2 3.7Å; V781-F799 HydrophobicContact CG2-CG 4.37Å; V781-F799 HydrophobicContact CG2-CZ 3.77Å; S796-F799 CarbonylContact O-C 3.6Å; S796-F799 PolarHBondContact O-N 3.23Å; S796-F799 PolarHBondContact OG-N 3.5Å; S797-F799 VanDerWaalsContact C-N 3.33Å; S797-F799 PolarHBondContact O-N 2.79Å; F799-N804 HydrophobicContact CD1-CB 4.21Å; F799-N804 HydrophobicContact CE1-CB 4.5Å; F799-R805 HydrophobicContact CB-CG 4.41Å; F799-R805 HydrophobicContact CD1-CG 4.43Å; F799-R805 VanDerWaalsContact O-CG 3.27Å; F799-R805 WeakPolarHBondContact O-CG 3.44Å; F799-R805 PolarHBondContact O-NH1 2.96Å; F799-L808 HydrophobicContact CE1-CB 3.99Å; F799-L808 HydrophobicContact CE1-CD2 4.18Å
800	Q	87.2	Confident	90	Very high	128 Å²	128	49.8 Å²	49.8	60%	0.598	27%	0.273	S	S	*	.	S	Bend	trans	-62.7	-39	167	-77.6	177.5	7.7	0	0	113.2	L795 S796 S797 Q802 R805	L795-Q800 HydrophobicContact CB-CG 4.42Å; S796-Q800 WeakPolarHBondContact O-CG 3.41Å; S796-Q800 PolarHBondContact O-N 2.89Å; S797-Q800 PolarHBondContact O-N 3.43Å; Q800-Q802 PolarHBondContact O-N 3.22Å; Q800-R805 VanDerWaalsContact C-NH1 3.31Å; Q800-R805 PolarHBondContact O-NH1 3.46Å
801	P	89.8	Confident	90.4	Very high	60 Å²	60	47.8 Å²	47.8	39%	0.39	26%	0.258	S	S	.	.	S	Bend	trans	-65.6	132	171.5	-21.1	33.8	0	0	0	111.5	S797 T798 A803 N804 R805	S797-P801 WeakPolarHBondContact O-CD 3.43Å; T798-P801 WeakPolarHBondContact O-CD 3.48Å; P801-A803 PolarHBondContact O-N 3.06Å; P801-N804 PolarHBondContact O-N 3.25Å; P801-R805 PolarHBondContact O-N 3.11Å
802	Q	89.7	Confident	90.7	Very high	119 Å²	119	46.8 Å²	46.8	56%	0.556	25%	0.25	S	S	*	.	H	α-helix	trans	-61.2	-31.4	177.3	-174.9	172.9	-6.5	0	0	112.5	Q800 N804 R805 N806	Q800-Q802 PolarHBondContact O-N 3.22Å; Q802-N804 PolarHBondContact O-N 3.11Å; Q802-R805 PolarHBondContact O-N 2.98Å; Q802-N806 PolarHBondContact O-N 2.96Å
803	A	89.9	Confident	90.8	Very high	57 Å²	57	48.8 Å²	48.8	47%	0.471	26%	0.261	S	S	.	.	H	α-helix	trans	-58.1	-44.5	176.7	0	0	0	0	0	112.4	P801 R805 N806 K807	P801-A803 PolarHBondContact O-N 3.06Å; A803-R805 PolarHBondContact O-N 3.36Å; A803-N806 WeakPolarHBondContact O-CB 3.48Å; A803-N806 PolarHBondContact O-N 3.26Å; A803-K807 WeakPolarHBondContact O-CG 3.33Å; A803-K807 PolarHBondContact O-N 2.77Å
804	N	90	Very high	90.8	Very high	26 Å²	26	49.7 Å²	49.7	14%	0.139	27%	0.267	C	S	.	.	H	α-helix	trans	-71.2	-31.9	-179.1	-69.1	-8	0	0	0	112.1	I422 T798 F799 P801 Q802 K807 L808	I422-N804 HydrophobicContact CD1-CB 4.35Å; T798-N804 WeakPolarHBondContact O-CB 3.32Å; T798-N804 PolarHBondContact O-ND2 3.31Å; F799-N804 HydrophobicContact CD1-CB 4.21Å; F799-N804 HydrophobicContact CE1-CB 4.5Å; P801-N804 PolarHBondContact O-N 3.25Å; Q802-N804 PolarHBondContact O-N 3.11Å; N804-K807 PolarHBondContact O-N 3.42Å; N804-L808 PolarHBondContact O-N 2.95Å
805	R	92.2	Very high	90.8	Very high	29 Å²	29	47.9 Å²	47.9	11%	0.109	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-40.4	170.6	-62.5	-166.4	-65.1	-83.8	7.6	112.3	H730 F799 Q800 P801 Q802 A803 K807 L808 L809	H730-R805 VanDerWaalsContact CE1-CB 3.41Å; H730-R805 WeakPolarHBondContact CE1-CB 3.07Å; H730-R805 PolarHBondContact ND1-NE 3.37Å; H730-R805 WeakPolarHBondContact NE2-CB 3.38Å; F799-R805 HydrophobicContact CB-CG 4.41Å; F799-R805 HydrophobicContact CD1-CG 4.43Å; F799-R805 VanDerWaalsContact O-CG 3.27Å; F799-R805 WeakPolarHBondContact O-CG 3.44Å; F799-R805 PolarHBondContact O-NH1 2.96Å; Q800-R805 VanDerWaalsContact C-NH1 3.31Å; Q800-R805 PolarHBondContact O-NH1 3.46Å; P801-R805 PolarHBondContact O-N 3.11Å; Q802-R805 PolarHBondContact O-N 2.98Å; A803-R805 PolarHBondContact O-N 3.36Å; R805-K807 VanDerWaalsContact C-N 3.35Å; R805-L808 PolarHBondContact O-N 3.49Å; R805-L809 PolarHBondContact O-N 3.29Å
806	N	92.3	Very high	90.6	Very high	64 Å²	64	47.1 Å²	47.1	34%	0.342	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-41.6	173.9	-73.2	-14.7	0	0	0	111.4	H730 Q802 A803 L809 Q810	H730-N806 PolarHBondContact CE1-OD1 2.72Å; Q802-N806 PolarHBondContact O-N 2.96Å; A803-N806 WeakPolarHBondContact O-CB 3.48Å; A803-N806 PolarHBondContact O-N 3.26Å; N806-L809 PolarHBondContact O-N 3.13Å; N806-Q810 WeakPolarHBondContact O-CB 3.18Å; N806-Q810 WeakPolarHBondContact O-CG 3.42Å; N806-Q810 PolarHBondContact O-N 3.47Å
807	K	91.5	Very high	90.1	Very high	77 Å²	77	48.3 Å²	48.3	34%	0.335	26%	0.26	S	S	.	.	H	α-helix	trans	-60.3	-44	175.3	-73.4	-179.8	176.7	-176.9	0	112.3	I421 I422 A803 N804 R805 L809 Q810 Y811	I421-K807 WeakPolarHBondContact O-CB 3.27Å; I422-K807 PolarHBondContact O-NZ 3.05Å; A803-K807 WeakPolarHBondContact O-CG 3.33Å; A803-K807 PolarHBondContact O-N 2.77Å; N804-K807 PolarHBondContact O-N 3.42Å; R805-K807 VanDerWaalsContact C-N 3.35Å; K807-L809 PolarHBondContact O-N 2.92Å; K807-Q810 PolarHBondContact O-N 3.24Å; K807-Y811 WeakPolarHBondContact O-CB 3.46Å; K807-Y811 PolarHBondContact O-N 3.24Å
808	L	92.3	Very high	88.9	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.016	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-45.5	173.4	175.6	65.8	0	0	0	111.9	I421 A726 F776 L779 V781 F799 N804 R805 Y811 I812	I421-L808 HydrophobicContact CD1-CD1 4.28Å; I421-L808 HydrophobicContact CG2-CB 4.3Å; I421-L808 HydrophobicContact CG2-CD1 4.33Å; A726-L808 HydrophobicContact CB-CD2 4.46Å; F776-L808 HydrophobicContact CZ-CD2 4.33Å; L779-L808 HydrophobicContact CD2-CD1 3.84Å; V781-L808 HydrophobicContact CG1-CD2 4.23Å; V781-L808 HydrophobicContact CG2-CD2 3.75Å; F799-L808 HydrophobicContact CE1-CB 3.99Å; F799-L808 HydrophobicContact CE1-CD2 4.18Å; N804-L808 PolarHBondContact O-N 2.95Å; R805-L808 PolarHBondContact O-N 3.49Å; L808-Y811 PolarHBondContact O-N 3.26Å; L808-I812 HydrophobicContact CD1-CD1 4.15Å; L808-I812 HydrophobicContact CG-CD1 4.15Å; L808-I812 WeakPolarHBondContact O-CG1 3.4Å; L808-I812 PolarHBondContact O-N 3.49Å; L808-I812 VanDerWaalsContact O-N 3.11Å
809	L	93.9	Very high	89	Confident	30 Å²	30	52.5 Å²	52.5	16%	0.157	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-44.6	177.6	178.6	60.4	0	0	0	111.3	A726 V727 R805 N806 K807 I812 L813	A726-L809 HydrophobicContact CB-CB 4.34Å; A726-L809 HydrophobicContact CB-CD1 4.09Å; V727-L809 HydrophobicContact CG2-CD1 3.9Å; V727-L809 HydrophobicContact CG2-CD2 3.87Å; R805-L809 PolarHBondContact O-N 3.29Å; N806-L809 PolarHBondContact O-N 3.13Å; K807-L809 PolarHBondContact O-N 2.92Å; L809-I812 PolarHBondContact O-N 3.05Å; L809-L813 HydrophobicContact CD1-CD1 3.91Å; L809-L813 HydrophobicContact CD1-CG 4.01Å; L809-L813 HydrophobicContact CG-CD1 3.83Å; L809-L813 HydrophobicContact CG-CG 4.33Å; L809-L813 WeakPolarHBondContact O-CB 3.47Å; L809-L813 VanDerWaalsContact O-CG 3.25Å; L809-L813 WeakPolarHBondContact O-CG 3.42Å; L809-L813 PolarHBondContact O-N 3.16Å
810	Q	91.7	Very high	89	Confident	131 Å²	131	55.2 Å²	55.2	61%	0.612	29%	0.286	S	S	*	.	H	α-helix	trans	-62.6	-42.9	177	-76	174.7	-27.9	0	0	111.9	N806 K807 I812 L813 S814	N806-Q810 WeakPolarHBondContact O-CB 3.18Å; N806-Q810 WeakPolarHBondContact O-CG 3.42Å; N806-Q810 PolarHBondContact O-N 3.47Å; K807-Q810 PolarHBondContact O-N 3.24Å; Q810-I812 PolarHBondContact O-N 3.44Å; Q810-L813 PolarHBondContact O-N 3.44Å; Q810-S814 WeakPolarHBondContact O-CB 3.46Å; Q810-S814 PolarHBondContact O-N 3.49Å
811	Y	91.6	Very high	89.1	Confident	26 Å²	26	51.2 Å²	51.2	10%	0.102	27%	0.269	C	S	.	.	H	α-helix	trans	-55.2	-51.3	174.7	176.3	-97.6	0	0	0	110.9	I421 F616 K807 L808 S814 F815	I421-Y811 HydrophobicContact CD1-CD1 4.18Å; I421-Y811 HydrophobicContact CD1-CE1 4.28Å; I421-Y811 HydrophobicContact CG1-CD1 4.03Å; I421-Y811 HydrophobicContact CG1-CD2 3.99Å; I421-Y811 HydrophobicContact CG1-CE1 4.28Å; I421-Y811 HydrophobicContact CG1-CE2 4.24Å; I421-Y811 HydrophobicContact CG1-CG 3.88Å; F616-Y811 HydrophobicContact CD2-CE1 4.29Å; F616-Y811 HydrophobicContact CG-CE1 4.38Å; K807-Y811 WeakPolarHBondContact O-CB 3.46Å; K807-Y811 PolarHBondContact O-N 3.24Å; L808-Y811 PolarHBondContact O-N 3.26Å; Y811-S814 WeakPolarHBondContact O-CB 3.44Å; Y811-S814 PolarHBondContact O-N 2.82Å; Y811-S814 PolarHBondContact O-OG 3.2Å; Y811-F815 HydrophobicContact CD1-CE2 4.31Å; Y811-F815 HydrophobicContact CD2-CE2 4.14Å; Y811-F815 AromaticContact CE1-CE2 3.94Å; Y811-F815 HydrophobicContact CE1-CE2 3.94Å; Y811-F815 AromaticContact CE2-CE2 3.76Å; Y811-F815 HydrophobicContact CE2-CE2 3.76Å; Y811-F815 HydrophobicContact CE2-CZ 4.16Å; Y811-F815 HydrophobicContact CG-CE2 4.4Å; Y811-F815 AromaticContact CZ-CE2 3.65Å; Y811-F815 WeakPolarHBondContact O-CD2 3.27Å; Y811-F815 WeakPolarHBondContact O-CE2 3.33Å
812	I	93.4	Very high	89.1	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-46.8	179.5	-60.9	162.8	0	0	0	110.7	F616 L719 A726 L808 L809 Q810 S814 F815 T816	F616-I812 HydrophobicContact CE1-CG1 4.22Å; F616-I812 HydrophobicContact CE2-CG1 4.49Å; F616-I812 HydrophobicContact CZ-CD1 3.93Å; F616-I812 HydrophobicContact CZ-CG1 3.72Å; L719-I812 HydrophobicContact CD2-CG2 4.47Å; A726-I812 HydrophobicContact CB-CD1 3.98Å; L808-I812 HydrophobicContact CD1-CD1 4.15Å; L808-I812 HydrophobicContact CG-CD1 4.15Å; L808-I812 WeakPolarHBondContact O-CG1 3.4Å; L808-I812 PolarHBondContact O-N 3.49Å; L808-I812 VanDerWaalsContact O-N 3.11Å; L809-I812 PolarHBondContact O-N 3.05Å; Q810-I812 PolarHBondContact O-N 3.44Å; I812-S814 PolarHBondContact O-N 2.71Å; I812-F815 PolarHBondContact O-N 2.92Å; I812-T816 PolarHBondContact O-OG1 3.02Å
813	L	92.7	Very high	89	Confident	58 Å²	58	46.4 Å²	46.4	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-64.3	-27.7	-178.6	-71.8	177.2	0	0	0	112.8	R583 L809 Q810 F815 T816	R583-L813 PolarHBondContact NH1-O 3.08Å; L809-L813 HydrophobicContact CD1-CD1 3.91Å; L809-L813 HydrophobicContact CD1-CG 4.01Å; L809-L813 HydrophobicContact CG-CD1 3.83Å; L809-L813 HydrophobicContact CG-CG 4.33Å; L809-L813 WeakPolarHBondContact O-CB 3.47Å; L809-L813 VanDerWaalsContact O-CG 3.25Å; L809-L813 WeakPolarHBondContact O-CG 3.42Å; L809-L813 PolarHBondContact O-N 3.16Å; Q810-L813 PolarHBondContact O-N 3.44Å; L813-F815 PolarHBondContact O-N 3.47Å; L813-T816 PolarHBondContact O-N 2.91Å
814	S	91.7	Very high	89	Confident	18 Å²	18	45.7 Å²	45.7	13%	0.126	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-31.2	177.7	79.5	0	0	0	0	112.4	S580 R583 Q810 Y811 I812	S580-S814 VanDerWaalsContact CA-O 3.3Å; S580-S814 WeakPolarHBondContact CA-O 3.38Å; S580-S814 WeakPolarHBondContact OG-CB 3.26Å; S580-S814 PolarHBondContact OG-OG 3.21Å; R583-S814 VanDerWaalsContact NH1-C 3.32Å; R583-S814 PolarHBondContact NH1-O 3.42Å; Q810-S814 WeakPolarHBondContact O-CB 3.46Å; Q810-S814 PolarHBondContact O-N 3.49Å; Y811-S814 WeakPolarHBondContact O-CB 3.44Å; Y811-S814 PolarHBondContact O-N 2.82Å; Y811-S814 PolarHBondContact O-OG 3.2Å; I812-S814 PolarHBondContact O-N 2.71Å
815	F	92.4	Very high	88.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-9.9	178.5	-59.5	-76.2	0	0	0	114.1	C576 K609 L613 L719 Y811 I812 L813	C576-F815 HydrophobicContact CB-CB 4.3Å; C576-F815 HydrophobicContact CB-CD1 4.46Å; C576-F815 PolarHBondContact SG-O 3.26Å; K609-F815 HydrophobicContact CD-CZ 4.4Å; K609-F815 HydrophobicContact CG-CE1 3.89Å; K609-F815 HydrophobicContact CG-CZ 4.11Å; L613-F815 HydrophobicContact CB-CE1 4.16Å; L613-F815 HydrophobicContact CB-CZ 4.34Å; L613-F815 HydrophobicContact CD1-CD1 4.5Å; L613-F815 HydrophobicContact CD1-CD2 4.28Å; L613-F815 HydrophobicContact CD1-CG 4.23Å; L613-F815 HydrophobicContact CD2-CB 4.49Å; L613-F815 HydrophobicContact CD2-CD1 3.8Å; L613-F815 HydrophobicContact CD2-CE1 4.24Å; L613-F815 HydrophobicContact CD2-CG 4.18Å; L613-F815 HydrophobicContact CG-CD1 4.5Å; L719-F815 HydrophobicContact CD1-CB 3.86Å; L719-F815 WeakPolarHBondContact CD1-O 3.41Å; L719-F815 HydrophobicContact CD2-CB 4.48Å; Y811-F815 HydrophobicContact CD1-CE2 4.31Å; Y811-F815 HydrophobicContact CD2-CE2 4.14Å; Y811-F815 AromaticContact CE1-CE2 3.94Å; Y811-F815 HydrophobicContact CE1-CE2 3.94Å; Y811-F815 AromaticContact CE2-CE2 3.76Å; Y811-F815 HydrophobicContact CE2-CE2 3.76Å; Y811-F815 HydrophobicContact CE2-CZ 4.16Å; Y811-F815 HydrophobicContact CG-CE2 4.4Å; Y811-F815 AromaticContact CZ-CE2 3.65Å; Y811-F815 WeakPolarHBondContact O-CD2 3.27Å; Y811-F815 WeakPolarHBondContact O-CE2 3.33Å; I812-F815 PolarHBondContact O-N 2.92Å; L813-F815 PolarHBondContact O-N 3.47Å
816	T	88.6	Confident	88.6	Confident	9 Å²	9	48.5 Å²	48.5	6%	0.055	24%	0.244	C	C	.	.	S	Bend	trans	-87.8	130.2	-173.2	-56.3	0	0	0	0	111.3	R583 I812 L813 L818	R583-T816 VanDerWaalsContact CZ-O 3.28Å; R583-T816 PolarHBondContact NH1-O 3.37Å; R583-T816 PolarHBondContact NH2-O 2.85Å; I812-T816 PolarHBondContact O-OG1 3.02Å; L813-T816 PolarHBondContact O-N 2.91Å; T816-L818 PolarHBondContact O-N 3.16Å
817	L	80	Confident	88.3	Confident	38 Å²	38	47.2 Å²	47.2	20%	0.199	24%	0.236	C	C	.	.			trans	-73.6	110.9	165.4	-172.2	68.6	0	0	0	108.4	L579 I709 Q712 R713	L579-L817 HydrophobicContact CD2-CB 4.31Å; L579-L817 HydrophobicContact CD2-CD1 4.36Å; I709-L817 HydrophobicContact CG2-CD2 4Å; Q712-L817 HydrophobicContact CB-CB 4.41Å; Q712-L817 HydrophobicContact CB-CD2 4.42Å; R713-L817 HydrophobicContact CG-CD2 4.07Å
818	L	60.3	Low	88.1	Confident	175 Å²	175	44.5 Å²	44.5	92%	0.916	23%	0.227	S	C	*	.			trans	-78.8	0	-176.2	-72.3	172.8	0	0	0	112.3	T816	T816-L818 PolarHBondContact O-N 3.16Å

Retrieved 818 of 818 residues in 489.9 ms (Link to these results)

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